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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 7/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.58 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.58 |
| ▸ | ITGAL | P20701 | 1/20 | 0.58 |
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | CA6 | P23280 | 1/20 | 0.58 |
| ▸ | ADK | P55263 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30071614 | 0.98 | AHR (0.61) | AHRTRPA1CA1CA2ITGB2 | |
| SCHEMBL1440181 | 0.98 | AHR (0.61) | AHRTRPA1CA1CA2ITGB2 | |
| Hydrochloric Acid SCHEMBL7763064 | 0.95 | AHR (0.58) | AHRTRPA1CA1CA2ITGB2 | |
| SCHEMBL23714123 | 0.85 | GPR84 (0.61) | AHRTRPA1CA1CA2ITGB2 | |
| SCHEMBL2530865 | 0.84 | GPR84 (0.67) | AHRTRPA1CA1CA2ITGB2 | |
| Anthracene SCHEMBL27988530 | 0.83 | AHR (0.85) | AHRTRPA1CA1CA2ITGB2 | |
| SCHEMBL2806310 | 0.83 | GPR84 (0.43) | AHRTRPA1CA1CA2ITGB2 | |
| SCHEMBL3731175 | 0.82 | GPR84 (0.64) | AHRTRPA1CA1CA2ITGB2 | |
| SCHEMBL7084471 | 0.79 | NPC1 (0.58) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL7004015 | 0.77 | AHR (0.94) | AHRTRPA1CA1CA2ITGB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1100780-A1 | NOVEL 2,3,3A,4,9,9A HEXAHYDRO-8-HYDROXY-1H-BENZ F]INDOLES, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000007986-A1 | NOVEL 2,3,3A,4,9,9A HEXAHYDRO-8-HYDROXY-1H-BENZ[F]INDOLES, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-02-17 | — | — | WO | disclosed |