Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22199101 | 0.83 | SCD (0.42) | SCDCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL11181015 | 0.83 | SCD (0.42) | SCDCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22185893 | 0.80 | SCD (0.36) | SCDCYP2E1CYP2A6KDM4E | |
| SCHEMBL30444621 | 0.79 | SCD (0.40) | SCDCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22199098 | 0.79 | NR2E1 (0.42) | SCDCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL11177895 | 0.79 | SCD (0.40) | SCDCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL8738098 | 0.79 | SCD (0.40) | SCDCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL20168708 | 0.79 | KCNJ1 (0.43) | SCDCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL22199077 | 0.78 | SCD (0.47) | SCDCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL21635934 | 0.78 | SCD (0.34) | SCDKDM4E |
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 |