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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 9/20 | 0.77 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.62 |
| ▸ | MAOA | P21397 | 1/20 | 0.65 |
| ▸ | BCHE | P06276 | 2/20 | 0.60 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL456614 | 0.98 | SIGMAR1 (0.80) | SIGMAR1MAOACHRM2BCHECNR1 | |
| SCHEMBL27496896 | 0.97 | SIGMAR1 (0.77) | SIGMAR1MAOACHRM2BCHECNR1 | |
| Hydrochloric Acid SCHEMBL9257562 | 0.97 | SIGMAR1 (0.77) | SIGMAR1MAOACHRM2BCHECNR1 | |
| Hydrochloric Acid SCHEMBL9254084 | 0.97 | SIGMAR1 (0.77) | SIGMAR1MAOACHRM2BCHECNR1 | |
| Hydrochloric Acid SCHEMBL454214 | 0.97 | SIGMAR1 (0.77) | SIGMAR1MAOACHRM2BCHECNR1 | |
| Bromide SCHEMBL9578037 | 0.97 | SIGMAR1 (0.72) | SIGMAR1MAOACHRM2BCHEGAA | |
| SCHEMBL9666404 | 0.95 | SIGMAR1 (0.74) | SIGMAR1MAOACHRM2BCHEGAA | |
| Hydrochloric Acid SCHEMBL9254761 | 0.95 | SIGMAR1 (0.77) | SIGMAR1MAOACHRM2BCHEGAA | |
| Hydrochloric Acid SCHEMBL9260556 | 0.94 | SIGMAR1 (0.72) | SIGMAR1MAOACHRM2BCHEGAA | |
| SCHEMBL9764394 | 0.92 | SIGMAR1 (0.69) | SIGMAR1MAOACHRM2BCHEGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1189446-C | 6- (4-phenylbutoxy) hexylamine derivative and method for obtaining salmeterol | VITA INVEST SA (ES) | 2005-02-16 | — | — | CN | disclosed |
| EP-1132373-B1 | NEW DERIVATIVES OF 6-(4-PHENYLBUTOXY)HEXYLAMINE AND PROCESS FOR PRODUCING SALMETEROL | VITA LAB (ES) | 2003-11-19 | — | — | EP | disclosed |
| US-6388134-B1 | CHEMICAL INTERMEDIATES | INKE, S.A. (ES) | 2002-05-14 | — | — | US | disclosed |
| CN-1320114-A | Novel 6- (4-phenylbutoxy) hexylamine derivative and method for obtaining salmeterol | VITA INVEST SA (ES) | 2001-10-31 | — | — | CN | disclosed |
| EP-1132373-A2 | NEW DERIVATIVES OF 6-(4-PHENYLBUTOXY)HEXYLAMINE AND PROCESS FOR PRODUCING SALMETEROL | VITA-INVEST, S.A. (ES) | 2001-09-12 | — | — | EP | disclosed |