Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | GPR3 | P46089 | 2/20 | 0.50 |
| ▸ | AHR | P35869 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5781155 | 0.77 | AHR (0.61) | ALDH1A1HSD17B10GPR3AHRKDM4E | |
| SCHEMBL8089252 | 0.77 | AHR (0.61) | ALDH1A1HSD17B10GPR3AHRKDM4E | |
| SCHEMBL29766929 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HSD17B10GPR3AHRKDM4E | |
| SCHEMBL3197310 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HSD17B10GPR3AHRKDM4E | |
| SCHEMBL8083535 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HSD17B10GPR3AHRKDM4E | |
| SCHEMBL8084325 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HSD17B10GPR3AHRKDM4E | |
| SCHEMBL7495853 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HSD17B10GPR3AHRKDM4E | |
| SCHEMBL29025506 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HSD17B10GPR3AHRKDM4E | |
| SCHEMBL8087761 | 0.72 | CHRNA7 (0.46) | ALDH1A1HSD17B10GPR3AHRKDM4E | |
| SCHEMBL6479175 | 0.72 | KIF11 (0.46) | ALDH1A1HSD17B10GPR3AHRKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0555537-B1 | Endothelin antagonists | BANYU PHARMA CO LTD (JP) | 2000-11-02 | — | — | EP | disclosed |
| 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 |