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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RRM1 | P23921 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10426113 | 0.99 | MCHR1 (0.56) | MCHR1ALDH1A1KDM4ELMNASLC6A9 | |
| SCHEMBL10426112 | 0.85 | MCHR1 (0.61) | MCHR1ALDH1A1KDM4ELMNAKDR | |
| Bromide SCHEMBL10426742 | 0.84 | MCHR1 (0.49) | MCHR1ALDH1A1KDM4ELMNAABCB1 | |
| Bromide SCHEMBL10425849 | 0.83 | BCHE (0.53) | MCHR1ALDH1A1KDM4ELMNABCHE | |
| SCHEMBL10425940 | 0.83 | MCHR1 (0.50) | MCHR1ALDH1A1KDM4ELMNAABCB1 | |
| SCHEMBL10426725 | 0.82 | BCHE (0.53) | MCHR1ALDH1A1KDM4ELMNABCHE | |
| Bromide SCHEMBL10426793 | 0.79 | KMT2A (0.43) | ALDH1A1LMNAKDRABCB1KMT2A | |
| SCHEMBL10589183 | 0.79 | KDM4E (0.55) | MCHR1ALDH1A1KDM4ELMNASLC6A9 | |
| SCHEMBL10426115 | 0.78 | KMT2A (0.43) | ALDH1A1LMNAKDRABCB1KMT2A | |
| Bromide SCHEMBL10426077 | 0.77 | LMNA (0.50) | MCHR1ALDH1A1KDM4ELMNASLC6A9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4906634-A | Novel N-[4-(aminosubstituted)phenyl]methanesulfonamides and their use as cardiovascular agents | SCHERING A.G. (DE) | 1990-03-06 | — | — | US | disclosed |
| EP-0332570-A2 | Novel-N-(4-(Aminosubstituted)phenyl) methanesulfonamides and their use as cardiovascular agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-09-13 | — | — | EP | disclosed |