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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.45 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11154360 | 0.85 | ACHE (0.42) | ACHECA1CA2CA7CA9 | |
| Bromide SCHEMBL10653968 | 0.76 | ACHE (0.48) | ACHECA1CA2CA7CA9 | |
| Bromide SCHEMBL1021629 | 0.76 | ACHE (0.48) | ACHECA1CA2CA7CA9 | |
| Bromide SCHEMBL11151085 | 0.75 | CA1 (0.50) | ACHECA1CA2CA7CA9 | |
| SCHEMBL24031 | 0.74 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| SCHEMBL1794814 | 0.74 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL8086769 | 0.74 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| SCHEMBL29411044 | 0.74 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| Bromide SCHEMBL11151591 | 0.74 | ACHE (0.46) | ACHEALDH1A1CYP3A4TAAR1IDO1 | |
| 1,3-Dimethoxybenzene SCHEMBL28343465 | 0.73 | ACHE (0.67) | ACHECA1CA2CA7CA9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6358985-B1 | ANTICANCER AGENT | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |
| EP-1091736-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-10-24 | — | — | EP | disclosed |
| EP-1091736-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001382-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |
| EP-0024943-B1 | 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | TORAY INDUSTRIES, INC. (JP) | 1983-08-17 | — | — | EP | disclosed |
| US-4301164-A | FOR USE AS ANTIULCER AGENTS, HYPOTENSIVE AGENTS, ANTITHROMBOSIC AGENTS | TORAY INDUSTRIES, INC. (JP) | 1981-11-17 | — | — | US | disclosed |
| EP-0024943-A1 | 5,6,7-Trinor-4,8-inter-m-phenylene PGI2 derivatives and pharmaceutical compositions containing them | TORAY INDUSTRIES, INC. (JP) | 1981-03-11 | — | — | EP | disclosed |