Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8160503 | 0.96 | ROCK2 (0.42) | ROCK2CYP3A4TDP1NPSR1IDO1 | |
| SCHEMBL54719 | 0.96 | ROCK2 (0.44) | ROCK2CYP3A4TDP1NPSR1IDO1 | |
| SCHEMBL301129 | 0.96 | ROCK2 (0.44) | ROCK2CYP3A4TDP1NPSR1IDO1 | |
| SCHEMBL301161 | 0.96 | ROCK2 (0.44) | ROCK2CYP3A4TDP1NPSR1IDO1 | |
| SCHEMBL30727801 | 0.93 | ROCK2 (0.43) | ROCK2CYP3A4TDP1NPSR1IDO1 | |
| SCHEMBL2271458 | 0.93 | ROCK2 (0.43) | ROCK2CYP3A4TDP1NPSR1IDO1 | |
| SCHEMBL28530861 | 0.93 | ROCK2 (0.43) | ROCK2CYP3A4TDP1NPSR1IDO1 | |
| SCHEMBL9516193 | 0.93 | ROCK2 (0.43) | ROCK2CYP3A4TDP1NPSR1IDO1 | |
| SCHEMBL9634618 | 0.93 | ROCK2 (0.43) | ROCK2CYP3A4TDP1NPSR1IDO1 | |
| Bromide SCHEMBL8849424 | 0.93 | ROCK2 (0.43) | ROCK2CYP3A4TDP1NPSR1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0511015-B1 | Process for producing polybutadiene | JAPAN SYNTHETIC RUBBER CO LTD (JP) | 1997-08-27 | — | — | EP | claimed |
| US-5548045-A | USING A COORDINATION CATALYST COMPOSED OF A COBALT COMPOUND, ORGANOALUMINUM COMPOUND AND A PHOSPHINE COMPOUND | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1996-08-20 | — | — | US | claimed |
| EP-1023342-A1 | GAS PHASE POLYMERIZATION OF VINYLPOLYBUTADIENE | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-08-02 | — | — | EP | disclosed |
| WO-1999012983-A1 | GAS PHASE POLYMERIZATION OF VINYLPOLYBUTADIENE | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-03-18 | — | — | WO | disclosed |
| US-5879805-A | USING CATALYST COMPRISING A COBALT COMPOUND, A PHOSPHINE, XANTHOGEN THIOCYANIDE, CARBON DISULFIDE, AN ORGANOALUMINUM COMPOUND | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-03-09 | — | — | US | disclosed |
| EP-0511015-B1 | Process for producing polybutadiene | JAPAN SYNTHETIC RUBBER CO LTD (JP) | 1997-08-27 | — | — | EP | disclosed |
| US-5548045-A | USING A COORDINATION CATALYST COMPOSED OF A COBALT COMPOUND, ORGANOALUMINUM COMPOUND AND A PHOSPHINE COMPOUND | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1996-08-20 | — | — | US | disclosed |
| EP-0511015-A1 | Process for producing polybutadiene | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1992-10-28 | — | — | EP | disclosed |