Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7270521 | 0.89 | KMT2A (0.35) | CYP3A4CYP2C9CYP2C19TSHRPOLB | |
| SCHEMBL10994827 | 0.88 | ABCC1 (0.40) | CYP3A4CYP2C9CYP2C19TSHRPOLB | |
| SCHEMBL10995927 | 0.85 | KDM4E (0.46) | CYP3A4CYP2C9CYP2C19TSHRPOLB | |
| SCHEMBL10994168 | 0.85 | POLB (0.48) | CYP3A4CYP2C9CYP2C19TSHRPOLB | |
| SCHEMBL10999558 | 0.84 | KDM4E (0.56) | CYP3A4CYP2C9CYP2C19TSHRKMT2A | |
| SCHEMBL10998481 | 0.83 | ADORA3 (0.55) | CYP3A4CYP2C9CYP2C19TSHRPOLB | |
| SCHEMBL10997266 | 0.82 | CACNA1C (0.63) | CYP3A4CYP2C9CYP2C19TSHRPOLB | |
| SCHEMBL10996339 | 0.81 | KDM4E (0.39) | CYP3A4CYP2C9CYP2C19TSHRPOLB | |
| SCHEMBL10995916 | 0.80 | KMT2A (0.42) | CYP3A4CYP2C9CYP2C19TSHRKMT2A | |
| SCHEMBL10995581 | 0.79 | CACNA1B (0.51) | CYP3A4CYP2C9CYP2C19TSHRKMT2A |
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-4558058-A | HYPOTENSIVE AGENTS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1985-12-10 | — | — | US | disclosed |