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 | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4348612 | 0.98 | PTGS1 (0.60) | PTGS1PTGS2KDM4EPOLBNPC1 | |
| SCHEMBL4346992 | 0.83 | KDM4E (0.44) | PTGS1PTGS2KDM4EPOLBNPC1 | |
| Bromide SCHEMBL4215951 | 0.83 | PTGS1 (0.48) | PTGS1PTGS2KDM4EPOLBNPC1 | |
| SCHEMBL2087427 | 0.81 | PTGS1 (0.49) | PTGS1PTGS2KDM4EPOLBNPC1 | |
| SCHEMBL9753536 | 0.81 | PTGS1 (0.60) | PTGS1PTGS2KDM4EPOLBNPC1 | |
| SCHEMBL17515036 | 0.80 | PTGS1 (0.58) | PTGS1PTGS2KDM4EPOLBNPC1 | |
| SCHEMBL3653537 | 0.80 | PTGS1 (0.58) | PTGS1PTGS2KDM4EPOLBNPC1 | |
| SCHEMBL31027770 | 0.80 | PTGS1 (0.58) | PTGS1PTGS2KDM4EPOLBNPC1 | |
| SCHEMBL1759007 | 0.80 | KDM4E (0.67) | PTGS1PTGS2KDM4EPOLBNPC1 | |
| SCHEMBL1647253 | 0.80 | PTGS1 (0.58) | PTGS1PTGS2KDM4EPOLBNPC1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079769-A | Carboxamide compounds for the treatment of metabolic disorders | 里格尔药品股份有限公司 | 2020-12-15 | — | — | CN | disclosed |
| CN-106928211-B | Carboxamide compounds for the treatment of metabolic disorders | 里格尔药品股份有限公司 | 2020-09-08 | — | — | CN | disclosed |
| US-9353111-B2 | Carboxamide compounds and methods for using the same | RIGEL PHARMACEUTICALS, INC. (US) | 2016-05-31 | — | — | US | disclosed |
| US-9255085-B2 | Carboxamide compounds and methods for using the same | RIGEL PHARMACEUTICALS, INC. (US) | 2016-02-09 | — | — | US | disclosed |
| US-20150232451-A1 | Carboxamide Compounds and Methods for Using the Same | MIDCAP FINANCIAL TRUST | 2015-08-20 | — | — | US | disclosed |
| US-9062052-B2 | Carboxamide compounds and methods for using the same | RIGEL PHARMACEUTICALS, INC. (US) | 2015-06-23 | — | — | US | disclosed |
| US-20150011582-A1 | Carboxamide Compounds and Methods for Using the Same | MIDCAP FINANCIAL TRUST | 2015-01-08 | — | — | US | disclosed |
| US-8871770-B2 | Carboxamide compounds and methods for using the same | MIDCAP FINANCIAL TRUST | 2014-10-28 | — | — | US | disclosed |
| US-8785449-B2 | Carboxamide compounds and methods for using the same | RIGEL PHARMACEUTICALS, INC. (US) | 2014-07-22 | — | — | US | disclosed |
| US-20140148467-A1 | Carboxamide Compounds and Methods for Using the Same | RIGEL PHARMACEUTICALS, INC. (US) | 2014-05-29 | — | — | US | disclosed |
| US-20130023660-A1 | Carboxamide Compounds and Methods for Using the Same | RIGEL PHARMACEUTICALS, INC. (US) | 2013-01-24 | — | — | US | disclosed |
| US-8314107-B2 | Carboxamide compounds and methods for using the same | RIGEL PHARMACEUTICALS, INC. (US) | 2012-11-20 | — | — | US | disclosed |
| US-20090275609-A1 | Carboxamide Compounds and Methods for Using The Same | RIGEL PHARMACEUTICALS, INC. (US) | 2009-11-05 | — | — | US | 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 (5 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-20140148467-A1 | Carboxamide Compounds and Methods for Using the Same | PC, AK2, PRKAA2 | PTGS1 3031/4885PTGS2 2388/4885KDM4E 327/4885 |
| US-20130023660-A1 | Carboxamide Compounds and Methods for Using the Same | PC, AK2, PRKAA2 | PTGS1 3031/4885PTGS2 2388/4885KDM4E 327/4885 |
| US-20150232451-A1 | Carboxamide Compounds and Methods for Using the Same | PC, AK2, PRKAA2 | PTGS1 3031/4885PTGS2 2388/4885KDM4E 327/4885 |
| US-20090275609-A1 | Carboxamide Compounds and Methods for Using The Same | PC, AK2, PRKAA2 | PTGS1 3031/4885PTGS2 2388/4885KDM4E 327/4885 |
| US-20150011582-A1 | Carboxamide Compounds and Methods for Using the Same | PC, AK2, PRKAA2 | PTGS1 3031/4885PTGS2 2388/4885KDM4E 327/4885 |
“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.