Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.59 |
| ▸ | MAPT | P10636 | 7/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.59 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.59 |
| ▸ | TSHR | P16473 | 5/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.59 |
| ▸ | SCN1A | P35498 | 3/20 | 0.59 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.59 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.59 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL7264462 | 0.84 | ADORA3 (0.65) | CYP1A2CYP2C9ADORA3CYP3A4CYP2C19 | |
| SCHEMBL7562997 | 0.84 | CYP1A2 (0.64) | CYP1A2CYP2C9ADORA3CYP3A4CYP2C19 | |
| SCHEMBL7265996 | 0.83 | ADORA3 (0.59) | CYP1A2CYP2C9ADORA3CYP3A4CYP2C19 | |
| SCHEMBL7271964 | 0.82 | ADORA3 (0.53) | CYP1A2CYP2C9ADORA3CYP3A4CYP2C19 | |
| SCHEMBL7273566 | 0.82 | ADORA3 (0.58) | CYP1A2CYP2C9ADORA3CYP3A4CYP2C19 | |
| SCHEMBL10859172 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2C9ADORA3CYP3A4CYP2C19 | |
| SCHEMBL7273289 | 0.81 | ADORA3 (0.53) | CYP1A2CYP2C9ADORA3CYP3A4CYP2C19 | |
| SCHEMBL7272080 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2C9ADORA3CYP3A4CYP2C19 | |
| SCHEMBL7264533 | 0.78 | ADORA3 (0.57) | CYP1A2CYP2C9ADORA3CYP3A4CYP2C19 | |
| SCHEMBL7264322 | 0.78 | ADORA3 (0.57) | CYP1A2CYP2C9ADORA3CYP3A4CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4578395-A | Certain aralkylaminoalkyl esters of 1,4 dihydropyridines as antihypertensive | TEIJIN LIMITED (JP) | 1986-03-25 | — | — | US | disclosed |