Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GPR3 | P46089 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8307123 | 0.80 | PTGS2 (0.45) | PTGS2AHRALDH1A1GPR3HSD17B10 | |
| SCHEMBL9017539 | 0.79 | AHR (0.59) | PTGS2AHRALDH1A1GPR3HSD17B10 | |
| SCHEMBL5781155 | 0.74 | AHR (0.61) | AHRALDH1A1GPR3HSD17B10KDM4E | |
| SCHEMBL8089249 | 0.70 | ALDH1A1 (0.50) | AHRALDH1A1GPR3HSD17B10KDM4E | |
| SCHEMBL9260741 | 0.69 | ALDH1A1 (0.40) | PTGS2ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL6202865 | 0.69 | AHR (0.55) | PTGS2AHRALDH1A1GPR3HSD17B10 | |
| SCHEMBL4238498 | 0.67 | CNR1 (0.52) | PTGS2AHRALDH1A1GPR3HSD17B10 | |
| SCHEMBL8084325 | 0.66 | ALDH1A1 (0.50) | AHRALDH1A1GPR3HSD17B10KDM4E | |
| SCHEMBL7495853 | 0.66 | ALDH1A1 (0.50) | AHRALDH1A1GPR3HSD17B10KDM4E | |
| SCHEMBL8083535 | 0.66 | ALDH1A1 (0.50) | AHRALDH1A1GPR3HSD17B10KDM4E |
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 |