Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 3/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.70 |
| ▸ | MAPT | P10636 | 3/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.70 |
| ▸ | POLB | P06746 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
| ▸ | THPO | P40225 | 1/20 | 0.70 |
| ▸ | CACNA1C | Q13936 | 10/20 | 0.64 |
| ▸ | CACNA1F | O60840 | 9/20 | 0.64 |
| ▸ | CACNA1D | Q01668 | 9/20 | 0.64 |
| ▸ | CACNA1S | Q13698 | 9/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL7340937 | 0.97 | CACNA1F (0.68) | HIF1ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7338689 | 0.93 | CACNA1C (0.63) | HIF1ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| Nitrendipine SCHEMBL7343607 | 0.92 | HIF1A (0.83) | HIF1ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7427122 | 0.89 | CACNA1F (0.80) | HIF1ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7344661 | 0.85 | MAPT (0.60) | HIF1ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7341676 | 0.84 | HIF1A (0.66) | HIF1ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7340932 | 0.84 | CACNA1F (0.64) | HIF1ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7344654 | 0.84 | CYP1A2 (0.56) | HIF1ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| Nitrendipine SCHEMBL15516493 | 0.83 | HIF1A (1.00) | HIF1ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| (S)-Nitrendipine SCHEMBL120983 | 0.83 | HIF1A (1.00) | HIF1ACYP1A2CYP3A4CYP2C9CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4652573-A | HYPOTENSIVE AGENTS | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1987-03-24 | — | — | US | claimed |
| US-4833150-A | HYPOTENSIVES, ANTIARRHYTHMIA AGENTS | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1989-05-23 | — | — | US | disclosed |
| US-4652573-A | HYPOTENSIVE AGENTS | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1987-03-24 | — | — | US | disclosed |
| EP-0194685-A1 | 1,4-Dihydropyridines | Whitby Research Incorporated (US) | 1986-09-17 | — | — | EP | disclosed |