Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.54 |
| ▸ | MAPT | P10636 | 7/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 5/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.54 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.54 |
| ▸ | SCN1A | P35498 | 3/20 | 0.54 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.54 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.54 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7399076 | 0.92 | CYP2C9 (0.52) | CYP1A2CYP2C9CYP3A4CYP2C19ADORA3 | |
| SCHEMBL9248478 | 0.87 | ADORA3 (0.61) | CYP1A2CYP2C9CYP3A4CYP2C19ADORA3 | |
| SCHEMBL7445246 | 0.82 | ADORA3 (0.60) | CYP1A2CYP2C9CYP3A4CYP2C19ADORA3 | |
| SCHEMBL7393785 | 0.81 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP3A4CYP2C19ADORA3 | |
| SCHEMBL7396706 | 0.81 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP3A4CYP2C19ADORA3 | |
| SCHEMBL7365819 | 0.81 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP3A4CYP2C19ADORA3 | |
| SCHEMBL7361981 | 0.81 | CYP2C9 (0.46) | CYP1A2CYP2C9CYP3A4CYP2C19ADORA3 | |
| SCHEMBL7443841 | 0.78 | CYP2C9 (0.54) | CYP1A2CYP2C9CYP3A4CYP2C19ADORA3 | |
| SCHEMBL7446056 | 0.78 | CYP2C9 (0.54) | CYP1A2CYP2C9CYP3A4CYP2C19ADORA3 | |
| SCHEMBL7544621 | 0.78 | CACNA1C (0.54) | CYP1A2CYP2C9CYP3A4CYP2C19ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995013812-A1 | USE OF SUBSTITUTED 1,4-DIHYDROPYRIDINE TO REDUCE INTRAOCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1995-05-26 | — | — | WO | disclosed |
| US-5378718-A | Cardiovascular activity, hypotensive | CEDONA PHARMACEUTICALS B.V. (NL) | 1995-01-03 | — | — | US | disclosed |
| EP-0541634-A1 | 1,4-DIHYDROPYRIDINE DERIVATIVES | CEDONA PHARMACEUTICALS B.V. (NL) | 1993-05-19 | — | — | EP | disclosed |