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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.44 |
| ▸ | ADRA1D known ✓ | P25100 | 2/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.41 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 3/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9457777 | 0.99 | HTR1A (0.45) | HTR1ADRD2DRD3ADRA1DSLC22A2 | |
| SCHEMBL9035193 | 0.91 | HTR1A (0.47) | HTR1ADRD2DRD3ADRA1DHTR2A | |
| SCHEMBL9036829 | 0.89 | HTR1A (0.47) | HTR1ADRD2ADRA1DHTR2A | |
| SCHEMBL9458072 | 0.85 | HTR1A (0.54) | HTR1ADRD2ADRA1DCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9458352 | 0.84 | HTR1A (0.53) | HTR1ADRD2ADRA1DALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9458505 | 0.84 | HTR1A (0.53) | HTR1ADRD2ADRA1DALDH1A1CYP1A2 | |
| SCHEMBL9458358 | 0.83 | HTR1A (0.52) | HTR1ADRD2ADRA1DALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9458396 | 0.82 | HTR1A (0.51) | HTR1ADRD2ADRA1DALDH1A1CYP1A2 | |
| SCHEMBL9034117 | 0.77 | HTR1A (0.58) | HTR1ADRD2ADRA1DALDH1A1CYP1A2 | |
| Bromide SCHEMBL9037158 | 0.77 | HTR1A (0.52) | HTR1AADRA1DADRA1AADRA1B |
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 |
|---|---|---|---|---|---|---|---|
| US-5244888-A | Hexahydroindenopyrroles and hexahydrobenzisoindoles | ABBOTT LABORATORIES (US) | 1993-09-14 | — | — | US | disclosed |
| US-5049564-A | Hypotensive, 5-hydroxytryptamine | ABBOTT LABORATORIES (US) | 1991-09-17 | — | — | US | disclosed |
| EP-0422134-A1 | 5-HT SELECTIVE AGENTS. | ABBOTT LAB (US) | 1991-04-17 | — | — | EP | disclosed |
| WO-1990006927-A1 | 5-HT SELECTIVE AGENTS | ABBOTT LABORATORIES (US) | 1990-06-28 | — | — | WO | disclosed |