Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.72 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.72 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.72 |
| ▸ | MEN1 | O00255 | 2/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.72 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.72 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.72 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.72 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.72 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL7438922 | 0.94 | CYP2C9 (0.62) | CYP2C9ABCB11CYP3A4TBXA2RADRA1A | |
| SCHEMBL7429576 | 0.93 | CYP2C9 (0.68) | CYP2C9ABCB11CYP3A4TBXA2RADRA1A | |
| SCHEMBL7318977 | 0.89 | CYP2C9 (0.68) | CYP2C9ABCB11CYP3A4TBXA2RADRA1A | |
| SCHEMBL7428072 | 0.89 | CYP2C9 (0.56) | CYP2C9ABCB11CYP3A4TBXA2RADRA1A | |
| SCHEMBL7434261 | 0.87 | CYP2C9 (0.55) | CYP2C9ABCB11CYP3A4TBXA2RADRA1A | |
| SCHEMBL7434919 | 0.86 | CYP2C9 (0.65) | CYP2C9ABCB11CYP3A4TBXA2RADRA1A | |
| SCHEMBL7439079 | 0.86 | CYP2C9 (0.69) | CYP2C9ABCB11CYP3A4TBXA2RADRA1A | |
| SCHEMBL7431523 | 0.85 | TBXA2R (0.54) | CYP2C9ABCB11CYP3A4TBXA2RADRA1A | |
| SCHEMBL9501593 | 0.85 | KDM4E (0.85) | CYP2C9ABCB11CYP3A4TBXA2RADRA1A | |
| SCHEMBL7429568 | 0.85 | CYP2C9 (0.64) | CYP2C9ABCB11CYP3A4TBXA2RADRA1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | claimed |
| EP-0125803-A2 | Pharmaceutically active dihydropyridines | FISONS plc (GB) | 1984-11-21 | — | — | EP | disclosed |