Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | MEN1 | O00255 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 5/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.58 |
| ▸ | THPO | P40225 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.58 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.57 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.57 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.57 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL10758851 | 0.94 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10754677 | 0.92 | MAPT (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7273525 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10758530 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10759325 | 0.88 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10760824 | 0.88 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10759036 | 0.87 | MAPT (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10757990 | 0.87 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10764576 | 0.86 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10758337 | 0.85 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4672071-A | Antihypertensive dihydropyridine compositions, optical isomers and intermediates | SYNTEX (U.S.A.) INC. (US) | 1987-06-09 | — | — | US | disclosed |
| EP-0191448-A2 | Antihypertensive dihydropyridine derivatives | SYNTEX (U.S.A.) INC. (US) | 1986-08-20 | — | — | EP | disclosed |
| US-4595690-A | Hypotensive agents | SYNTEX (U.S.A.) INC. (US) | 1986-06-17 | — | — | US | disclosed |