Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1D | Q01668 | 6/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.51 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.51 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 8/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11800038 | 0.86 | CACNA1D (0.62) | CACNA1DCACNA1FCACNA1SCACNA1CCACNA1B | |
| SCHEMBL11799255 | 0.85 | CACNA1D (0.60) | CACNA1DKDM4EALDH1A1 | |
| SCHEMBL11526085 | 0.81 | ABCC1 (0.61) | CACNA1DCACNA1FCACNA1SCACNA1CABCC1 | |
| SCHEMBL11007804 | 0.80 | TSHR (0.54) | CACNA1DCACNA1FCACNA1SCACNA1CABCC1 | |
| SCHEMBL3026966 | 0.78 | ABCC1 (0.71) | CACNA1DCACNA1FCACNA1SCACNA1CABCC1 | |
| SCHEMBL11806148 | 0.77 | ALDH1A1 (0.61) | CACNA1DABCC1ACHEBCHEKDM4E | |
| SCHEMBL11773488 | 0.77 | CACNA1F (0.56) | CACNA1DCACNA1FCACNA1SCACNA1CABCC1 | |
| SCHEMBL11006596 | 0.76 | CACNA1D (0.48) | CACNA1DCACNA1FCACNA1SCACNA1CCACNA1B | |
| SCHEMBL11803207 | 0.76 | CA1 (0.50) | CACNA1DCACNA1FCACNA1SCACNA1CKDM4E | |
| SCHEMBL11524110 | 0.76 | CACNA1B (0.57) | CACNA1DCACNA1FCACNA1SCACNA1CABCC1 |
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-3989708-A | HYPOTENSIVE, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-02 | — | — | US | disclosed |
| US-3989708-A | HYPOTENSIVE, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-02 | — | — | US | disclosed |
| US-3862162-A | CERTAIN-2-AMINO-1,4-DIHYDRO-4-PHENYL-6-LOWER ALKYL (OR PHENYL)-3-PYRIDINECARBOXYLATES | BAYER AG | 1975-01-21 | — | — | US | disclosed |