Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CHRND | Q07001 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6505647 | 0.99 | PARP1 (0.43) | PARP1KMT2AKDM4EMEN1NOS3 | |
| Bromide SCHEMBL3888884 | 0.87 | PARP1 (0.41) | PARP1KMT2ANPC1RAB9APKM | |
| Bromide SCHEMBL3887674 | 0.86 | CYP3A4 (0.38) | KDM4EGABRPGABRDGABRA1GABRB1 | |
| Bromide SCHEMBL3892578 | 0.86 | PARP1 (0.43) | PARP1KMT2AMEN1NPC1RAB9A | |
| Bromide SCHEMBL5201244 | 0.85 | KDM4E (0.41) | KMT2AKDM4EMEN1NOS3NOS1 | |
| Bromide SCHEMBL3891895 | 0.85 | GABRP (0.46) | KMT2AKDM4EMEN1GABRPGABRD | |
| Bromide SCHEMBL3888871 | 0.85 | PARP1 (0.39) | PARP1KMT2AMEN1NPC1RAB9A | |
| Bromide SCHEMBL3886815 | 0.85 | CES2 (0.46) | PARP1KMT2AMEN1NPC1RAB9A | |
| Bromide SCHEMBL3888929 | 0.85 | PARP1 (0.42) | PARP1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL6505974 | 0.84 | PARP1 (0.44) | PARP1KMT2AMEN1NPC1RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080269234-A1 | Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents | ABBOTT LABORATORIES (US) | 2008-10-30 | — | — | US | claimed |
| US-9283222-B2 | Inhibitors of poly(ADP-ribose)polymerase | ABBVIE INC. (US) | 2016-03-15 | — | — | US | disclosed |
| US-20140212509-A1 | INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE | ABBVIE INC. (US) | 2014-07-31 | — | — | US | disclosed |
| US-8466150-B2 | Inhibitors of poly(ADP-ribose)polymerase | ABBOTT LABORATORIES (US) | 2013-06-18 | — | — | US | disclosed |
| US-7495018-B2 | Substituted 1,3-thiazole compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-02-24 | — | — | US | disclosed |
| US-20090048307-A1 | 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of | OHKAWA SHIGENORI | 2009-02-19 | — | — | US | disclosed |
| US-20080269234-A1 | Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents | ABBOTT LABORATORIES (US) | 2008-10-30 | — | — | US | disclosed |
| US-20080167314-A1 | Condensed Imidazole Compound And Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-10 | — | — | US | disclosed |
| US-7276527-B2 | 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-10-02 | — | — | US | disclosed |
| EP-1832588-A1 | CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-09-12 | — | — | EP | disclosed |
| US-7101899-B1 | 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-09-05 | — | — | US | disclosed |
| US-20060135566-A1 | 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof | OHKAWA SHIGENORI | 2006-06-22 | — | — | US | disclosed |
| US-20050080113-A1 | Medicinal compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-14 | — | — | US | disclosed |
| US-20040063946-A1 | Jnk inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1402900-A1 | MEDICINAL COMPOSITIONS | Takeda Chemical Industries, Ltd. (JP) | 2004-03-31 | — | — | EP | disclosed |
| US-20040053973-A1 | Substituted 1,3-thiazole compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-03-18 | — | — | US | disclosed |
| EP-1364949-A1 | JNK INHIBITOR | Takeda Chemical Industries, Ltd. (JP) | 2003-11-26 | — | — | EP | disclosed |
| EP-1268474-A2 | SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |
| EP-1180518-A1 | 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-20 | — | — | EP | disclosed |
| WO-2001074811-A2 | SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-10-11 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080269234-A1 | Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents | PARP1, DPYD, PARP2 | SLC6A2 4813/4885SLC6A3 4801/4885PARP1 1/4885 |
| US-20050080113-A1 | Medicinal compositions | TNF, TRAF6, MMP8 | SLC6A2 4327/4885SLC6A3 4560/4885PARP1 3236/4885 |
| US-20060135566-A1 | 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof | ADORA3, MAPK4, MAPK3 | SLC6A2 2349/4885SLC6A3 1091/4885PARP1 2394/4885 |
| US-20080167314-A1 | Condensed Imidazole Compound And Use Thereof | MAPK13, MMP13, MAPK3 | SLC6A2 3035/4885SLC6A3 952/4885PARP1 1194/4885 |
| US-20140212509-A1 | INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE | PARP1, PARP2, PARP3 | SLC6A2 3853/4885SLC6A3 2738/4885PARP1 1/4885 |
| US-20040053973-A1 | Substituted 1,3-thiazole compounds, their production and use | MAPK1, MAP4K2, MAPK4 | SLC6A2 3311/4885SLC6A3 1948/4885PARP1 2821/4885 |
| US-20090048307-A1 | 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of | ADORA3, ADORA1, MAPK3 | SLC6A2 2217/4885SLC6A3 940/4885PARP1 2221/4885 |
| US-20040063946-A1 | Jnk inhibitor | MAPK1, MAPK7, MAP3K7 | SLC6A2 2307/4885SLC6A3 3210/4885PARP1 2083/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.