Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.65 |
| ▸ | CACNA1C | Q13936 | 6/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.65 |
| ▸ | MAPT | P10636 | 5/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.65 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.65 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.65 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.65 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL3016258 | 0.93 | ADORA3 (0.75) | ADORA3CACNA1CCYP1A2MAPTCYP3A4 | |
| SCHEMBL11007690 | 0.87 | ADORA3 (0.86) | ADORA3CACNA1CCYP1A2MAPTCYP3A4 | |
| SCHEMBL11730841 | 0.85 | ADORA3 (0.60) | ADORA3CACNA1CCYP1A2MAPTCYP3A4 | |
| SCHEMBL11303525 | 0.84 | ADORA3 (0.53) | ADORA3CACNA1CCYP1A2MAPTCYP3A4 | |
| SCHEMBL7265431 | 0.83 | ADORA3 (0.63) | ADORA3CACNA1CCYP1A2MAPTCYP3A4 | |
| SCHEMBL10733024 | 0.82 | CACNA1C (0.63) | ADORA3CACNA1CCYP1A2MAPTCYP3A4 | |
| SCHEMBL11307558 | 0.81 | ADORA3 (0.62) | ADORA3CACNA1CCYP1A2MAPTCYP3A4 | |
| Nifedipine SCHEMBL3968 | 0.79 | ADORA3 (1.00) | ADORA3CACNA1CCYP1A2MAPTCYP3A4 | |
| Nifedipine SCHEMBL29349595 | 0.79 | ADORA3 (1.00) | ADORA3CACNA1CCYP1A2MAPTCYP3A4 | |
| Nifedipine SCHEMBL1172946 | 0.79 | ADORA3 (1.00) | ADORA3CACNA1CCYP1A2MAPTCYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4248873-A | Nitro-substituted 1,4-dihydropyridines, processes for _their production and their medicinal use | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-03 | — | — | US | disclosed |