Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.35 |
| ▸ | MIF | P14174 | 2/20 | 0.35 |
| ▸ | SLC6A12 | P48065 | 5/20 | 0.34 |
| ▸ | SLC6A11 | P48066 | 5/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.31 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGAV | P06756 | 1/20 | 0.31 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.31 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.31 |
| ▸ | ITGAL | P20701 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7278568 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19ITGB3 | |
| SCHEMBL31710559 | 0.71 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19ITGB3 | |
| SCHEMBL9067300 | 0.69 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19ITGB3 | |
| SCHEMBL15211143 | 0.68 | CA2 (0.54) | ITGB3ITGA2B | |
| SCHEMBL16428909 | 0.68 | CA2 (0.54) | ITGB3ITGA2B | |
| SCHEMBL407496 | 0.68 | CA2 (0.54) | ITGB3ITGA2B | |
| SCHEMBL15113106 | 0.68 | — | — | |
| SCHEMBL16653941 | 0.66 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19ITGB3 | |
| SCHEMBL16654043 | 0.66 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19ITGB3 | |
| SCHEMBL11851498 | 0.66 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19ITGB3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3214072-A1 | METHOD FOR PRODUCING -CAPROLACTAM | Toray Industries, Inc. (JP) | 2017-09-06 | — | — | EP | disclosed |