Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.30 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL22220340 | 0.79 | IMPDH2 (0.37) | ALDH1A1CYP3A4TDP1TSHRCASP1 | |
| SCHEMBL26547549 | 0.79 | ALDH1A1 (0.37) | ALDH1A1CYP3A4TDP1TSHRCASP1 | |
| SCHEMBL24476958 | 0.78 | POLB (0.39) | ALDH1A1CYP3A4TDP1TSHRCASP1 | |
| SCHEMBL22600547 | 0.78 | CYP3A4 (0.34) | ALDH1A1CYP3A4TDP1TSHRCASP1 | |
| SCHEMBL24652823 | 0.77 | CYP3A4 (0.42) | ALDH1A1CYP3A4TDP1TSHRMAPK1 | |
| SCHEMBL24428041 | 0.75 | ALDH1A1 (0.32) | ALDH1A1CYP3A4TDP1TSHRCASP1 | |
| SCHEMBL24305375 | 0.75 | TSHR (0.32) | ALDH1A1CYP3A4TSHRCASP1MAPK1 | |
| SCHEMBL27402558 | 0.75 | ALDH1A1 (0.32) | ALDH1A1CYP3A4TDP1TSHRCASP1 | |
| SCHEMBL13363108 | 0.75 | CYP3A4 (0.39) | ALDH1A1CYP3A4TDP1TSHRCASP1 | |
| SCHEMBL24652746 | 0.73 | CYP3A4 (0.39) | ALDH1A1CYP3A4TDP1TSHRMAPK1 |
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-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |