Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 5/20 | 0.38 |
| ▸ | NR2E1 | Q9Y466 | 4/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22184927 | 0.82 | SMN1; SMN2 (0.39) | SMN1; SMN2 | |
| SCHEMBL22199086 | 0.78 | NR2E1 (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL22199098 | 0.77 | NR2E1 (0.42) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22199095 | 0.76 | SCD (0.48) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL22199104 | 0.74 | NR2E1 (0.38) | CYP3A4CYP2D6CYP2C9CYP2C19SCD | |
| SCHEMBL17562268 | 0.71 | MEN1 (0.34) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL22199101 | 0.71 | SCD (0.42) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL11181015 | 0.71 | SCD (0.42) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22199017 | 0.71 | CYP1A2 (0.59) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL11177895 | 0.71 | SCD (0.40) | 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 |