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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 7/20 | 0.45 |
| ▸ | ADRB1 known ✓ | P08588 | 6/20 | 0.45 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.45 |
| ▸ | ADRB3 known ✓ | P13945 | 4/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.45 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.45 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.45 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.45 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.45 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | HTR2B | P41595 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7690294 | 0.84 | L3MBTL1 (0.58) | KMT2ARAB9ANPC1MEN1NPSR1 | |
| SCHEMBL9655113 | 0.77 | KMT2A (0.68) | KMT2ARAB9ANPC1MEN1NPSR1 | |
| SCHEMBL9076080 | 0.76 | MEN1 (0.43) | KMT2AMEN1ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL7524065 | 0.75 | ADRB2 (0.77) | KMT2ARAB9ANPC1MEN1KDM4E | |
| Hydrochloric Acid SCHEMBL7524070 | 0.75 | ADRB2 (0.77) | KMT2ARAB9ANPC1MEN1KDM4E | |
| SCHEMBL11719183 | 0.72 | ADRB2 (0.63) | ADRB2ADRB1SIGMAR1ADRB3CYP1A2 | |
| SCHEMBL4209781 | 0.72 | L3MBTL1 (0.51) | KMT2ARAB9ANPC1MEN1ADRB2 | |
| Moprolol SCHEMBL80724 | 0.70 | ADRB2 (0.74) | ADRB2ADRB1SIGMAR1ADRB3CYP1A2 | |
| Moprolol SCHEMBL30910938 | 0.70 | ADRB2 (0.74) | ADRB2ADRB1SIGMAR1ADRB3CYP1A2 | |
| Moprolol SCHEMBL30002163 | 0.70 | ADRB2 (0.74) | ADRB2ADRB1SIGMAR1ADRB3CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376488-B1 | SPECIFIC ADRENORECEPTOR ANTAGONISTS FOR TREATING BENIGN PROSTATIC HYPERPLASIA, BLADDER OUTLET OBSTRUCTION, NEUROGENIC BLADDER, AND GYNECOLOGICAL SYNDROMES | ABBOTT LABORATORIES | 2002-04-23 | — | — | US | disclosed |