Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7067328 | 0.90 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7065279 | 0.85 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP1A2TAAR1SLC6A4 | |
| SCHEMBL7775708 | 0.77 | CYP2D6 (0.50) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7067627 | 0.73 | TAAR1 (0.52) | CYP3A4CYP2D6TAAR1SLC6A4SLC6A2 | |
| SCHEMBL7064916 | 0.71 | KMT2A (0.44) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10824013 | 0.70 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3417124 | 0.69 | CYP3A4 (0.64) | CYP3A4CYP2D6CYP1A2CYP2C19TAAR1 | |
| SCHEMBL30194840 | 0.69 | CYP3A4 (0.64) | CYP3A4CYP2D6CYP1A2CYP2C19TAAR1 | |
| SCHEMBL10824008 | 0.69 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP1A2TAAR1SLC6A4 | |
| SCHEMBL27619179 | 0.69 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 |
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-6277867-B1 | SYNERGISTIC MIXTURES | CHINOIN GYOGYSZER ES VEGYESZETI (HU) | 2001-08-21 | — | — | US | claimed |