Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.62 |
| ▸ | CACNA1C | Q13936 | 6/20 | 0.62 |
| ▸ | MAPT | P10636 | 6/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.62 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.62 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.62 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.62 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.62 |
| ▸ | SCN1A | P35498 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL6427770 | 0.93 | ADORA3 (0.67) | ADORA3CACNA1CMAPTCYP1A2CYP3A4 | |
| SCHEMBL11360822 | 0.89 | ADORA3 (0.62) | ADORA3CACNA1CMAPTCYP1A2CYP3A4 | |
| SCHEMBL11303525 | 0.88 | ADORA3 (0.53) | ADORA3CACNA1CMAPTCYP1A2CYP3A4 | |
| SCHEMBL6425245 | 0.88 | CACNA1D (0.61) | ADORA3CACNA1CMAPTCYP1A2CYP3A4 | |
| SCHEMBL11369478 | 0.87 | CYP1A2 (0.60) | ADORA3CACNA1CMAPTCYP1A2CYP3A4 | |
| SCHEMBL10369519 | 0.86 | ADORA3 (0.58) | ADORA3CACNA1CMAPTCYP1A2CYP3A4 | |
| SCHEMBL11116035 | 0.85 | ADORA3 (0.55) | ADORA3CACNA1CMAPTCYP1A2CYP3A4 | |
| SCHEMBL10369334 | 0.85 | CYP1A2 (0.72) | ADORA3CACNA1CMAPTCYP1A2CYP3A4 | |
| Alcohol SCHEMBL9690926 | 0.85 | MAPT (0.48) | ADORA3CACNA1CMAPTCYP1A2CYP3A4 | |
| SCHEMBL6427366 | 0.85 | CACNA1D (0.57) | ADORA3CACNA1CMAPTCYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0071819-B2 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| EP-0071819-B1 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1987-04-22 | — | — | EP | disclosed |
| EP-0071819-A1 | Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation | BAYER AG (DE) | 1983-02-16 | — | — | EP | disclosed |
| EP-0002208-B1 | NITRO 1,4-DIHYDROPYRIDINES, MEDICAMENTS CONTAINING THEM AND THEIR MANUFACTURE | BAYER AG (DE) | 1981-03-11 | — | — | EP | disclosed |