Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 9/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 9/20 | 1.00 |
| ▸ | CYP1B1 | Q16678 | 9/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 8/20 | 1.00 |
| ▸ | CYP2C8 | P10632 | 1/20 | 1.00 |
| ▸ | KRAS | P01116 | 5/20 | 0.72 |
| ▸ | CA1 | P00915 | 3/20 | 0.72 |
| ▸ | CA2 | P00918 | 3/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.71 |
| ▸ | ATM | Q13315 | 1/20 | 0.71 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.71 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.70 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL17232227 | 0.92 | CYP1A1 (0.85) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL11864008 | 0.89 | ABCG2 (0.81) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL11864000 | 0.89 | ABCG2 (0.81) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL17232217 | 0.88 | CYP1A1 (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL17232219 | 0.86 | CYP1A1 (0.75) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL17232220 | 0.86 | CYP1A1 (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL11796150 | 0.85 | ABCB1 (0.83) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL11796142 | 0.85 | ABCB1 (0.83) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL14800858 | 0.85 | ABCG2 (0.84) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL14820484 | 0.85 | ABCG2 (0.84) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015166040-A2 | COMPOUND | DE MONTFORT UNIVERSITY (GB) | 2015-11-05 | — | — | WO | disclosed |