Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22199045 | 0.85 | USP30 (0.47) | CYP11B2CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL1828556 | 0.82 | NR2E1 (0.43) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL24135174 | 0.81 | CYP11B2 (0.42) | CYP11B2CYP11B1 | |
| SCHEMBL9699728 | 0.79 | NR2E1 (0.46) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL12676199 | 0.79 | USP30 (0.40) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1162746 | 0.77 | CYP1A2 (0.55) | CYP11B2CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL1903855 | 0.76 | GRIA1 (0.42) | CYP1A2 | |
| SCHEMBL22198918 | 0.76 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9701793 | 0.76 | NR2E1 (0.48) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL27985278 | 0.75 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 |