Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 7/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 7/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 7/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 7/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 7/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 7/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.34 |
| ▸ | DOT1L | Q8TEK3 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11569105 | 0.80 | NOS3 (0.36) | DOT1L | |
| SCHEMBL29640808 | 0.79 | CYP2E1 (0.50) | CYP2E1CYP2A6EGLN2CYP1A2CYP3A4 | |
| SCHEMBL22185259 | 0.79 | CPB1 (0.33) | CYP2E1CYP2A6DOT1L | |
| SCHEMBL22199076 | 0.79 | PHF8 (0.51) | CYP2E1CYP2A6EGLN2CYP1A2CYP3A4 | |
| SCHEMBL15633080 | 0.74 | CYP2E1 (0.47) | CYP2E1CYP2A6EGLN2CYP1A2CYP3A4 | |
| SCHEMBL951160 | 0.74 | GAA (0.44) | DOT1L | |
| SCHEMBL27747138 | 0.71 | CYP2E1 (0.45) | CYP2E1CYP2A6EGLN2CYP1A2CYP3A4 | |
| SCHEMBL27159701 | 0.71 | CYP1A2 (0.51) | CYP2E1CYP2A6EGLN2CYP1A2CYP3A4 | |
| SCHEMBL27768055 | 0.71 | CYP2E1 (0.45) | CYP2E1CYP2A6EGLN2CYP1A2CYP3A4 | |
| SCHEMBL27417595 | 0.71 | CYP2E1 (0.45) | CYP2E1CYP2A6EGLN2CYP1A2CYP3A4 |
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 |