Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.59 |
| ▸ | CNR1 | P21554 | 9/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.49 |
| ▸ | DDO | Q99489 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4238498 | 0.83 | CNR1 (0.52) | AHRCNR1DAODDOPTGS2 | |
| SCHEMBL28833067 | 0.81 | AHR (0.59) | AHRCNR1DAODDOCYP1A2 | |
| SCHEMBL8780773 | 0.80 | CNR1 (0.51) | AHRCNR1DAODDOPTGS2 | |
| SCHEMBL9017534 | 0.79 | PTGS2 (0.43) | AHRCNR1PTGS2CYP1A2CYP2C19 | |
| SCHEMBL8307123 | 0.78 | PTGS2 (0.45) | AHRCNR1PTGS2CYP1A2CYP2C19 | |
| SCHEMBL154593 | 0.74 | AHR (1.00) | AHRDAODDOCYP1A2CYP2C19 | |
| SCHEMBL29420757 | 0.74 | AHR (1.00) | AHRDAODDOCYP1A2CYP2C19 | |
| SCHEMBL6202865 | 0.74 | AHR (0.55) | AHRPTGS2CYP1A2CYP2C19TNKS2 | |
| SCHEMBL8610115 | 0.74 | PTGS2 (0.69) | AHRPTGS2 | |
| SCHEMBL7195762 | 0.72 | AHR (0.70) | AHRDAODDOCYP1A2CYP2C19 |
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-5496928-A | Endothelin antagonistic substance | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| EP-0555537-A2 | Endothelin antagonistic substance | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-08-18 | — | — | EP | disclosed |