Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | NR2E1 | Q9Y466 | 9/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL12907213 | 0.86 | NR2E1 (0.45) | CYP2E1CYP2A6NR2E1CYP1A2CYP3A4 | |
| SCHEMBL15381990 | 0.86 | NR2E1 (0.62) | CYP2E1CYP2A6NR2E1CYP1A2NOTUM | |
| SCHEMBL12372948 | 0.83 | NR2E1 (0.58) | CYP2E1CYP2A6NR2E1MAOAMAOB | |
| SCHEMBL18120009 | 0.80 | NPC1 (0.54) | MAOAMAOBNOTUMOPRM1OPRD1 | |
| SCHEMBL270618 | 0.80 | CYP1A2 (0.53) | CYP2E1CYP2A6NR2E1MAOAMAOB | |
| SCHEMBL4426922 | 0.79 | NOTUM (0.43) | NOTUMOPRM1OPRD1OPRK1 | |
| SCHEMBL15315567 | 0.79 | NR2E1 (0.54) | CYP2E1CYP2A6NR2E1CYP1A2CYP3A4 | |
| SCHEMBL23510668 | 0.78 | MAP3K5 (0.45) | — | |
| Phosphoric Acid SCHEMBL28774218 | 0.78 | NR2E1 (0.55) | NR2E1CYP1A2 | |
| SCHEMBL21849237 | 0.78 | OPRD1 (0.44) | CYP1A2CYP2C9NOTUMOPRM1OPRD1 |
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-2020216071-A1 | DIMERIC OR POLYMERIC FORM OF MUTANT IDH INHIBITOR | 上海仕谱生物科技有限公司 | 2020-10-29 | — | — | WO | disclosed |