Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.79 |
| ▸ | MAPT | P10636 | 5/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.79 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.79 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.79 |
| ▸ | LMNA | P02545 | 3/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.79 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.79 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.79 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.79 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.79 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.79 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.79 |
| ▸ | SCN1A | P35498 | 2/20 | 0.79 |
| ▸ | HTR2B | P41595 | 2/20 | 0.79 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.79 |
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 | |
|---|---|---|---|---|
| SCHEMBL11742387 | 0.94 | ADORA3 (0.76) | ADORA3CYP1A2MAPTKMT2ACYP3A4 | |
| SCHEMBL11747538 | 0.93 | ADORA3 (0.74) | ADORA3CYP1A2MAPTKMT2ACYP3A4 | |
| SCHEMBL11744310 | 0.92 | ADORA3 (0.72) | ADORA3CYP1A2MAPTKMT2ACYP3A4 | |
| SCHEMBL11741151 | 0.92 | ADORA3 (0.72) | ADORA3CYP1A2MAPTKMT2ACYP3A4 | |
| SCHEMBL11738586 | 0.90 | ADORA3 (0.70) | ADORA3CYP1A2MAPTKMT2ACYP3A4 | |
| SCHEMBL11739707 | 0.89 | ADORA3 (0.69) | ADORA3CYP1A2MAPTKMT2ACYP3A4 | |
| SCHEMBL5085498 | 0.89 | ADORA3 (0.86) | ADORA3CYP1A2MAPTKMT2ACYP3A4 | |
| Nifedipine SCHEMBL3968 | 0.89 | ADORA3 (1.00) | ADORA3CYP1A2MAPTKMT2ACYP3A4 | |
| Nifedipine SCHEMBL29349595 | 0.89 | ADORA3 (1.00) | ADORA3CYP1A2MAPTKMT2ACYP3A4 | |
| Nifedipine SCHEMBL1172946 | 0.89 | ADORA3 (1.00) | ADORA3CYP1A2MAPTKMT2ACYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4044141-A | CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-23 | — | — | US | claimed |
| US-4988717-A | Optically active 1,4-dihydropyridine esters useful for treating circulatory illnesses | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |
| US-4849433-A | The compound, (⃡)1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-pyridine-3,5-dicarboxylic acid, methyl isobutyl ester, compositions containing same and a method for effecting coronary dilation | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-18 | — | — | US | disclosed |
| US-4703119-A | Intermediates of optically active 1,4-dihydropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1987-10-27 | — | — | US | disclosed |
| US-4510310-A | 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester | BAYER AKTIENGESELLSCHAFT (DE) | 1985-04-09 | — | — | US | disclosed |
| US-4044141-A | CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-23 | — | — | US | disclosed |
| US-4044141-A | CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-23 | — | — | US | disclosed |