Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 9/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CACNA1F | O60840 | 7/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 7/20 | 0.44 |
| ▸ | CACNA1S | Q13698 | 7/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10515418 | 0.89 | CACNA1C (0.41) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL9875415 | 0.88 | NR1I2 (0.51) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL9875222 | 0.85 | CACNA1C (0.56) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL9876069 | 0.84 | CACNA1C (0.55) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL9876125 | 0.83 | CACNA1C (0.54) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL9873330 | 0.83 | ADORA3 (0.53) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL9875740 | 0.83 | CACNA1C (0.54) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL9875212 | 0.83 | CACNA1C (0.54) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL11009095 | 0.81 | ADORA3 (0.74) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL9875844 | 0.80 | ADORA3 (0.50) | CACNA1CADORA3MAPTCYP1A2CYP3A4 |
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-5008279-A | Circulation-active fluoromethoxyphenyl dihydropyridine compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-16 | — | — | US | disclosed |