Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | F10 | P00742 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22199007 | 0.81 | ALDH1A1 (0.38) | ALDH1A1ESR1CYP1A2CYP2C19 | |
| SCHEMBL22185963 | 0.76 | PDE2A (0.31) | PDE2ACYP2C19 | |
| SCHEMBL22199104 | 0.73 | NR2E1 (0.38) | CYP2C19 | |
| SCHEMBL17987114 | 0.71 | DHODH (0.39) | CYP1A2 | |
| SCHEMBL16454221 | 0.67 | ALDH1A1 (0.33) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL12828166 | 0.67 | PDE2A (0.37) | PDE2ACYP1A2KCNN4 | |
| SCHEMBL12127323 | 0.66 | — | — | |
| SCHEMBL24226816 | 0.66 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL10052628 | 0.66 | ACHE (0.36) | ALDH1A1PDE2A | |
| SCHEMBL21719266 | 0.64 | — | — |
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 |