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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 SCHEMBL1582787 | 0.95 | TDP1 (0.36) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL301154 | 0.95 | TDP1 (0.39) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL10412405 | 0.93 | TDP1 (0.38) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL5838621 | 0.86 | TDP1 (0.39) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL4453154 | 0.81 | TDP1 (0.39) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL13722624 | 0.77 | MAOA (0.46) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL3297250 | 0.77 | LMNA (0.42) | TDP1CYP3A4ESR1ESR2CYP2D6 | |
| SCHEMBL301136 | 0.76 | CYP3A4 (0.39) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL6291622 | 0.76 | TAAR1 (0.50) | TAAR1MAOA | |
| SCHEMBL11374470 | 0.76 | LMNA (0.35) | TDP1CYP3A4SIGMAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1535931-B1 | PROCESS FOR PRODUCING CRYSTALLINE 1,2-POLYBUTADIENE | JSR CORP (JP) | 2011-04-20 | — | — | EP | disclosed |
| US-7009013-B2 | Process for producing crystalline 1,2-polybutadiene | JSR CORPORATION (JP) | 2006-03-07 | — | — | US | disclosed |
| US-20050239982-A1 | Process for producing crystalline 1,2-polybutadiene | JSR CORPORATION (JP) | 2005-10-27 | — | — | US | disclosed |
| EP-1535931-A1 | PROCESS FOR PRODUCING CRYSTALLINE 1,2-POLYBUTADIENE | JSR Corporation (JP) | 2005-06-01 | — | — | EP | disclosed |