Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 13/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 13/20 | 1.00 |
| ▸ | CYP1B1 | Q16678 | 13/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 10/20 | 1.00 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.70 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | F3 | P13726 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL17232228 | 0.87 | CYP1A1 (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL8987059 | 0.84 | BCHE (0.78) | CYP1A1CYP1A2CYP1B1CYP2D6ABCG2 | |
| SCHEMBL8987057 | 0.84 | BCHE (0.78) | CYP1A1CYP1A2CYP1B1CYP2D6ABCG2 | |
| SCHEMBL9112457 | 0.83 | MAPT (0.75) | CYP1A1CYP1A2CYP1B1CYP2D6ABCG2 | |
| SCHEMBL9112460 | 0.83 | MAPT (0.75) | CYP1A1CYP1A2CYP1B1CYP2D6ABCG2 | |
| SCHEMBL17232019 | 0.82 | CYP1A1 (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL17232219 | 0.82 | CYP1A1 (0.75) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL17232220 | 0.79 | CYP1A1 (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8 | |
| SCHEMBL7194847 | 0.79 | MAOB (0.77) | CYP1A1CYP1A2CYP1B1CYP2D6ABCG2 | |
| SCHEMBL12879519 | 0.79 | CYP1B1 (0.66) | CYP1A1CYP1A2CYP1B1CYP2D6ABCG2 |
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 |