Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | NR2E1 | Q9Y466 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 2/20 | 0.37 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22199024 | 0.79 | CYP2E1 (0.62) | CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27985278 | 0.78 | CYP1A2 (0.65) | CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22184924 | 0.77 | CYP2E1 (0.41) | CYP2E1CYP2A6 | |
| SCHEMBL3617491 | 0.76 | CYP2A6 (1.00) | CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22199019 | 0.73 | CYP2E1 (0.56) | CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3701633 | 0.73 | CYP2E1 (0.56) | CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2283022 | 0.72 | CYP2E1 (0.65) | CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2285981 | 0.72 | CYP1A2 (0.59) | CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10175045 | 0.71 | CYP2E1 (0.50) | CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4666728 | 0.69 | CYP3A4 (0.56) | CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6 |
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-2020141439-A1 | HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2020-07-09 | — | — | WO | disclosed |