Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLF10 | Q13118 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7586102 | 0.84 | CYP2C19 (0.34) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL8119764 | 0.83 | CYP2C19 (0.38) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL6760798 | 0.83 | CYP2C19 (0.38) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL14297626 | 0.81 | PDCD1 (0.47) | KLF10CYP2C19CYP1A2ALDH1A1HPGD | |
| SCHEMBL4266306 | 0.79 | NPSR1 (0.51) | CYP2C19RXRARXRBRXRGEPHX2 | |
| SCHEMBL7999289 | 0.79 | NPSR1 (0.40) | CYP2C19CYP1A2ALDH1A1TDP1CA1 | |
| SCHEMBL4521923 | 0.78 | CYP1A2 (0.34) | CYP2C19CYP1A2CA1CA2CA9 | |
| SCHEMBL4261597 | 0.78 | TP53 (0.41) | CYP2C19ALDH1A1CA1CA2CA9 | |
| SCHEMBL1594594 | 0.77 | ALDH1A1 (0.53) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL7535667 | 0.77 | NPSR1 (0.38) | CYP2C19ALDH1A1ALOX15HSD17B10TDP1 |
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-1020434-A1 | 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH | Kissei Pharmaceutical Co., Ltd. (JP) | 2000-07-19 | — | — | EP | disclosed |
| US-5686478-A | Endothelin antagonists | MERCK & CO. INC. (US) | 1997-11-11 | — | — | US | disclosed |
| WO-1995003295-A1 | ENDOTHELIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-02-02 | — | — | WO | disclosed |