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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.51 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.51 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.51 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.48 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | SCN1A | P35498 | 3/20 | 0.57 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.57 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.57 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.55 |
| ▸ | MAOB | P27338 | 5/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.51 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6803941 | 0.99 | KDM4E (0.61) | KDM4EALDH1A1LMNACYP2D6CYP1A2 | |
| SCHEMBL5102530 | 0.85 | CYP2D6 (0.59) | KDM4EALDH1A1LMNACYP2D6CYP1A2 | |
| SCHEMBL1734452 | 0.84 | CYP2D6 (0.65) | KDM4EALDH1A1LMNACYP2D6CYP1A2 | |
| SCHEMBL11242982 | 0.83 | MCHR1 (0.66) | KDM4EALDH1A1LMNACYP2D6CYP1A2 | |
| SCHEMBL6803935 | 0.83 | MCHR1 (0.59) | KDM4EALDH1A1LMNACYP2D6CYP1A2 | |
| SCHEMBL10589183 | 0.82 | KDM4E (0.55) | KDM4EALDH1A1LMNACYP2D6CYP1A2 | |
| Bromide SCHEMBL10426701 | 0.80 | ALDH1A1 (0.55) | KDM4EALDH1A1LMNACYP2D6CYP1A2 | |
| SCHEMBL6807627 | 0.79 | CYP2D6 (0.53) | KDM4EALDH1A1LMNACYP2D6CYP1A2 | |
| SCHEMBL10426054 | 0.78 | ABCB1 (0.52) | KDM4EALDH1A1LMNACYP2D6CYP1A2 | |
| Hydrochloric Acid SCHEMBL11340459 | 0.78 | CYP3A4 (0.59) | KDM4EALDH1A1LMNACYP3A4TSHR |
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 |