Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | S100B | P04271 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL19636756 | 0.79 | ALDH1A1 (0.37) | ALDH1A1CYP3A4TDP1TSHRCASP1 | |
| SCHEMBL26547549 | 0.79 | ALDH1A1 (0.37) | ALDH1A1CYP3A4TDP1TSHRCASP1 | |
| SCHEMBL28275294 | 0.74 | CYP3A4 (0.39) | IMPDH2ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL18473814 | 0.73 | CYP3A4 (0.42) | IMPDH2ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL20076660 | 0.72 | CYP3A4 (0.40) | IMPDH2ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL10798531 | 0.72 | CYP3A4 (0.46) | IMPDH2ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL21230432 | 0.72 | — | — | |
| SCHEMBL31107290 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TDP1TSHRS100B | |
| SCHEMBL3678346 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TDP1TSHRS100B | |
| SCHEMBL29566675 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TDP1TSHRS100B |
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-2020146613-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2020-07-16 | — | — | WO | disclosed |