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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.44 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29449692 | 0.98 | IDO1 (0.53) | IDO1BLMTSHRHTTALDH1A1 | |
| SCHEMBL59026 | 0.98 | IDO1 (0.53) | IDO1BLMTSHRHTTALDH1A1 | |
| SCHEMBL3596545 | 0.98 | IDO1 (0.53) | IDO1BLMTSHRHTTALDH1A1 | |
| SCHEMBL3583014 | 0.98 | IDO1 (0.53) | IDO1BLMTSHRHTTALDH1A1 | |
| Benzene SCHEMBL28873131 | 0.96 | IDO1 (0.52) | IDO1BLMTSHRHTTALDH1A1 | |
| Hydrochloric Acid SCHEMBL22770167 | 0.96 | IDO1 (0.55) | IDO1BLMTSHRHTTALDH1A1 | |
| Water SCHEMBL28334394 | 0.96 | IDO1 (0.52) | IDO1BLMTSHRHTTALDH1A1 | |
| SCHEMBL29182252 | 0.92 | TSHR (0.48) | IDO1BLMTSHRHTTEPHX1 | |
| SCHEMBL29622997 | 0.92 | TSHR (0.48) | IDO1BLMTSHRHTTEPHX1 | |
| SCHEMBL2192515 | 0.92 | TSHR (0.48) | IDO1BLMTSHRHTTEPHX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0717739-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995007274-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-03-16 | — | — | WO | disclosed |