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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10909334 | 0.99 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL10367127 | 0.97 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| Bromide SCHEMBL10365306 | 0.82 | CNR2 (0.43) | MEN1ALDH1A1LMNAMAPTRECQL | |
| SCHEMBL10365419 | 0.81 | CNR2 (0.44) | MEN1ALDH1A1LMNAMAPTRECQL | |
| SCHEMBL10909585 | 0.69 | MEN1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL10365911 | 0.66 | ALDH1A1 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL8305160 | 0.66 | MAPT (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL10366286 | 0.66 | MEN1 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL5215323 | 0.66 | ALDH1A1 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL9526005 | 0.65 | RECQL (0.70) | CYP1A2CYP3A4CYP2C19MEN1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0167922-B1 | Pyrrolo [1,2-b] [1,2,5] triazepines, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1990-03-28 | — | — | EP | disclosed |