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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3595403 | 0.76 | BRD4 (0.36) | AKR1B1 | |
| Bromide SCHEMBL9354927 | 0.71 | — | — | |
| SCHEMBL9538457 | 0.69 | — | — | |
| SCHEMBL3596380 | 0.67 | CA9 (0.40) | — | |
| SCHEMBL3594074 | 0.67 | CA9 (0.40) | — | |
| SCHEMBL30559940 | 0.67 | AKR1B1 (0.43) | AKR1B1 | |
| SCHEMBL21624172 | 0.67 | AKR1B1 (0.43) | AKR1B1 | |
| SCHEMBL3595402 | 0.67 | BRD4 (0.37) | AKR1B1 | |
| SCHEMBL18948043 | 0.66 | LMNA (0.31) | — | |
| SCHEMBL21624088 | 0.66 | MOGAT2 (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0620732-B1 | METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES | ALLERGAN INC (US) | 2001-04-04 | — | — | EP | disclosed |
| US-5418234-A | Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives | ALLERGAN, INC. (US) | 1995-05-23 | — | — | US | disclosed |
| EP-0549594-B1 | (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME | ALLERGAN INC (US) | 1995-02-01 | — | — | EP | disclosed |
| US-5373010-A | Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives | ALLERGAN, INC. (US) | 1994-12-13 | — | — | US | disclosed |
| US-5326763-A | Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives | ALLERGAN, INC. (US) | 1994-07-05 | — | — | US | disclosed |
| US-5231096-A | Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives | ALLERGAN, INC. (US) | 1993-07-27 | — | — | US | disclosed |
| US-5198442-A | (2-imidazolin-2-ylamino) quinoxaline derivatives and methods for using same | ALLERGAN, INC. (US) | 1993-03-30 | — | — | US | disclosed |
| US-5112822-A | Gastrointestinal disorders and glaucoma treatment | ALLERGAN, INC. (US) | 1992-05-12 | — | — | US | disclosed |