Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 3/20 | 0.44 |
| ▸ | 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 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22199042 | 0.87 | NR2E1 (0.45) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22199043 | 0.84 | MAOA (0.53) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22185266 | 0.83 | PDE2A (0.38) | NR2E1PDE2AEPHX2 | |
| SCHEMBL22185883 | 0.83 | PDE2A (0.39) | PDE2AEPHX2 | |
| SCHEMBL22199017 | 0.78 | CYP1A2 (0.59) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22184923 | 0.77 | KCNH2 (0.48) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL971611 | 0.77 | MAPT (0.39) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22198918 | 0.74 | CYP1A2 (0.46) | NR2E1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22185264 | 0.74 | SCN5A (0.40) | NR2E1MAOAMAOBGRM2 | |
| SCHEMBL7921146 | 0.73 | PSEN1 (0.48) | PSEN1PSEN2APH1BNCSTNAPH1A |
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 |