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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.52 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.52 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
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 SCHEMBL11207015 | 0.88 | TAAR1 (0.54) | CHRM2CHRM1CHRM3SIGMAR1TAAR1 | |
| Bromide SCHEMBL11094493 | 0.88 | CHRNA7 (0.52) | SIGMAR1ABCB1 | |
| Bromide SCHEMBL7929128 | 0.87 | FDFT1 (0.55) | — | |
| Bromide SCHEMBL11851106 | 0.83 | SIGMAR1 (0.50) | SIGMAR1 | |
| Bromide SCHEMBL3110986 | 0.81 | TAAR1 (0.56) | CHRM2CHRM1CHRM3SIGMAR1TAAR1 | |
| SCHEMBL14668122 | 0.80 | CHRM2 (0.59) | CHRM2CHRM1CHRM3SIGMAR1TAAR1 | |
| SCHEMBL31208272 | 0.80 | TAAR1 (0.57) | CHRM2CHRM1CHRM3SIGMAR1TAAR1 | |
| Bromide SCHEMBL9683147 | 0.79 | TRAP1 (0.56) | SIGMAR1ABCB1 | |
| SCHEMBL12630196 | 0.79 | SIGMAR1 (0.66) | CHRM2CHRM1CHRM3SIGMAR1TAAR1 | |
| SCHEMBL21002016 | 0.79 | TAAR1 (0.71) | CHRM2CHRM1CHRM3SIGMAR1TAAR1 |
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-0044105-B1 | NEW 8-ALPHA-OESTRA-1,3,5(10)-TRIENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | AKZO N.V. (NL) | 1984-10-03 | — | — | EP | disclosed |
| US-4407753-A | 8α-Oestra-1,3,5(10)-triene derivatives, processes for their preparation and pharmaceutical compositions | AKZO N.V. (NL) | 1983-10-04 | — | — | US | disclosed |
| EP-0044105-A2 | New 8-alpha-oestra-1,3,5(10)-triene derivatives, processes for their preparation and pharmaceutical compositions | AKZO N.V. (NL) | 1982-01-20 | — | — | EP | disclosed |
| US-4221713-A | Cyclization substrates and related 11α-equatorially-substituted steroids | AKZONA INCORPORATED (US) | 1980-09-09 | — | — | US | disclosed |