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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | CCR3 | P51677 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10345184 | 0.98 | OPRL1 (0.56) | OPRL1CYP3A4ALDH1A1USP2CYP2D6 | |
| SCHEMBL10345227 | 0.90 | CCR3 (0.60) | OPRL1CYP3A4ALDH1A1USP2CYP2D6 | |
| SCHEMBL10345158 | 0.90 | CYP3A4 (0.50) | OPRL1CYP3A4ALDH1A1USP2CYP2D6 | |
| SCHEMBL2341863 | 0.87 | SSTR5 (0.60) | OPRL1CYP3A4ALDH1A1USP2CYP2D6 | |
| SCHEMBL2342807 | 0.87 | CYP3A4 (0.57) | OPRL1CYP3A4ALDH1A1USP2CYP2D6 | |
| SCHEMBL6283441 | 0.84 | FAAH (0.57) | ALDH1A1SIGMAR1SMN1; SMN2 | |
| SCHEMBL2336799 | 0.83 | MEN1 (0.55) | CYP3A4ALDH1A1USP2CYP2D6MAPK1 | |
| SCHEMBL12589184 | 0.82 | OPRL1 (0.58) | OPRL1CYP3A4ALDH1A1USP2CYP2D6 | |
| SCHEMBL10345242 | 0.82 | CYP2D6 (0.55) | OPRL1CYP3A4ALDH1A1USP2CYP2D6 | |
| SCHEMBL10345162 | 0.82 | OPRL1 (0.51) | OPRL1CYP3A4ALDH1A1USP2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0152236-B1 | ARYLOXYMETHYLPYRROLIDINOLS AND PIPERIDINOLS HAVING ANTIDEPRESSANT, ANTIARHYTHMIC OR HYPOTENSIVE ACTIVITY | A.H. ROBINS COMPANY, INCORPORATED (US) | 1990-04-18 | — | — | EP | disclosed |
| EP-0152236-A2 | Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarhythmic or hypotensive activity | A.H. ROBINS COMPANY, INCORPORATED (US) | 1985-08-21 | — | — | EP | disclosed |
| US-4508724-A | Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarrhythmic or hypotensive activity | A. H. ROBINS COMPANY, INC. (US) | 1985-04-02 | — | — | US | disclosed |