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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC33A1 | O00400 | 15/20 | 0.52 |
| ▸ | PPARG | P37231 | 4/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3567392 | 0.99 | SLC33A1 (0.51) | SLC33A1PPARGAGTR1 | |
| SCHEMBL1889247 | 0.99 | SLC33A1 (0.52) | SLC33A1PPARGAGTR1 | |
| SCHEMBL1888695 | 0.99 | SLC33A1 (0.52) | SLC33A1PPARGAGTR1 | |
| Hydrochloric Acid SCHEMBL1889634 | 0.99 | SLC33A1 (0.52) | SLC33A1PPARGAGTR1 | |
| SCHEMBL1894078 | 0.99 | SLC33A1 (0.52) | SLC33A1PPARGAGTR1 | |
| Bromide SCHEMBL1886517 | 0.94 | SLC33A1 (0.53) | SLC33A1PPARG | |
| SCHEMBL1888515 | 0.94 | SLC33A1 (0.51) | SLC33A1PPARG | |
| Bromide SCHEMBL3567906 | 0.94 | SLC33A1 (0.52) | SLC33A1PPARG | |
| SCHEMBL1889393 | 0.94 | SLC33A1 (0.54) | SLC33A1PPARG | |
| SCHEMBL1894602 | 0.93 | SLC33A1 (0.53) | SLC33A1PPARG |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7998968-B2 | Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-16 | — | — | US | disclosed |
| US-20110112120-A9 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-05-12 | — | — | US | disclosed |
| EP-2256115-A1 | Heteromonocyclic compound and use thereof | Takeda Pharmaceutical Company Limited (JP) | 2010-12-01 | — | — | EP | disclosed |
| US-20100113780-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-05-06 | — | — | US | disclosed |
| US-20100105709-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-04-29 | — | — | US | disclosed |
| US-20100056526-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-03-04 | — | — | US | disclosed |
| US-20090176812-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-07-09 | — | — | US | disclosed |
| US-20080207654-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2008-08-28 | — | — | 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 (6 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-20110112120-A9 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | SLC33A1 817/4885PPARG 3043/4885AGTR1 16/4885 |
| US-20100113780-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | SLC33A1 817/4885PPARG 3043/4885AGTR1 16/4885 |
| US-20100056526-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | CYP11B2, CYP11B1, NR3C2 | SLC33A1 1772/4885PPARG 1212/4885AGTR1 9/4885 |
| US-20080207654-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C3AR1, C1S | SLC33A1 742/4885PPARG 3372/4885AGTR1 22/4885 |
| US-20090176812-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | SLC33A1 817/4885PPARG 3043/4885AGTR1 16/4885 |
| US-20100105709-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | SLC33A1 817/4885PPARG 3043/4885AGTR1 16/4885 |
“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.