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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | F2 | P00734 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12306074 | 0.98 | CHKA (0.56) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL18775288 | 0.87 | ALDH1A1 (0.60) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL565104 | 0.82 | LTA4H (0.53) | CHKALTA4HF2PRSS1CA4 | |
| Hydrochloric Acid SCHEMBL4740735 | 0.81 | LTA4H (0.52) | CHKAALDH1A1LTA4HKDM4ERAB9A | |
| SCHEMBL7837346 | 0.78 | CHKA (0.49) | CHKAALDH1A1KDM4ERAB9A | |
| SCHEMBL13933994 | 0.78 | LMNA (0.56) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| Bromide SCHEMBL10914760 | 0.78 | CHKA (0.55) | CHKALMNAHTTSMN1; SMN2KDM4E | |
| Bromide SCHEMBL10917081 | 0.78 | CHKA (0.47) | CHKA | |
| Bromide SCHEMBL1757103 | 0.78 | ALDH1A1 (0.72) | CHKAALDH1A1LMNAHTTSMN1; SMN2 | |
| Bromide SCHEMBL11693463 | 0.78 | CHKA (0.63) | CHKAALDH1A1LMNAHTTSMN1; SMN2 |
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-0869955-B1 | N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2001-10-24 | — | — | EP | disclosed |
| US-6110939-A | AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-08-29 | — | — | US | disclosed |
| EP-0869955-A1 | N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997024350-A1 | N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-07-10 | — | — | WO | disclosed |