Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 10/20 | 0.77 |
| ▸ | CYP1B1 | Q16678 | 10/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.77 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17232026 | 0.93 | CYP1A1 (0.86) | CYP1A1CYP1B1CYP1A2CYP2D6CYP2C8 | |
| SCHEMBL17232219 | 0.85 | CYP1A1 (0.75) | CYP1A1CYP1B1CYP1A2CYP2D6CYP2C8 | |
| SCHEMBL17232217 | 0.85 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2CYP2D6CYP2C8 | |
| SCHEMBL17232233 | 0.82 | CYP1A1 (0.64) | CYP1A1CYP1B1CYP1A2CYP2D6CYP2C8 | |
| SCHEMBL17232227 | 0.81 | CYP1A1 (0.85) | CYP1A1CYP1B1CYP1A2CYP2D6CYP2C8 | |
| SCHEMBL13764738 | 0.75 | MAOB (0.69) | KDM4EALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL17232019 | 0.74 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2CYP2D6CYP2C8 | |
| SCHEMBL17053215 | 0.73 | CYP1A1 (0.58) | CYP1A1CYP1B1CYP1A2CYP2D6CYP2C8 | |
| SCHEMBL17232229 | 0.73 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2CYP2D6CYP2C8 | |
| SCHEMBL6934856 | 0.73 | CYP1B1 (0.70) | CYP1A1CYP1B1CYP1A2CYP2D6CYP2C8 |
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 |