Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PDE1A | P54750 | 6/20 | 0.45 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.45 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | PTGIR | P43119 | 1/20 | 0.35 |
| ▸ | PRLHR | P49683 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10491378 | 0.80 | CYP3A4 (0.48) | CYP3A4TSHRLMNANR1I2CYP1A2 | |
| SCHEMBL11472105 | 0.78 | CYP3A4 (0.48) | CYP3A4TSHRLMNANR1I2CYP1A2 | |
| SCHEMBL11473408 | 0.77 | PDE1A (0.47) | CYP3A4TSHRLMNANR1I2CYP1A2 | |
| SCHEMBL11183610 | 0.77 | CYP3A4 (0.41) | CYP3A4TSHRLMNANR1I2CYP1A2 | |
| SCHEMBL10491403 | 0.73 | CYP3A4 (0.47) | CYP3A4TSHRLMNANR1I2CYP1A2 | |
| SCHEMBL9528324 | 0.73 | CYP3A4 (0.47) | CYP3A4TSHRLMNANR1I2CYP1A2 | |
| SCHEMBL1944441 | 0.73 | CYP3A4 (0.47) | CYP3A4TSHRLMNANR1I2CYP1A2 | |
| SCHEMBL11191469 | 0.71 | CYP3A4 (0.42) | CYP3A4TSHRLMNANR1I2CYP1A2 | |
| SCHEMBL11472043 | 0.71 | CYP3A4 (0.47) | CYP3A4TSHRLMNANR1I2CYP1A2 | |
| SCHEMBL9532750 | 0.71 | CYP3A4 (0.46) | CYP3A4TSHRLMNANR1I2CYP1A2 |
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-4617305-A | ANTIISCHEMIC AGENTS; STROKES | OMNICHEM, S.A. (BE) | 1986-10-14 | — | — | US | disclosed |