Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 13/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.46 |
| ▸ | CKS1B | P61024 | 2/20 | 0.46 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.46 |
| ▸ | SKP1 | P63208 | 1/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.40 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Adamantane SCHEMBL28227462 | 0.83 | EGFR (0.55) | EGFRHSP90AA1CKS1BSKP2SKP1 | |
| SCHEMBL18263261 | 0.81 | CKS1B (0.67) | EGFRHSP90AA1CKS1BSKP2SKP1 | |
| SCHEMBL182501 | 0.81 | HSP90AA1 (0.67) | EGFRHSP90AA1CKS1BSKP2SKP1 | |
| SCHEMBL6259074 | 0.79 | EGFR (0.66) | EGFRHSP90AA1HKDC1NOX4 | |
| SCHEMBL6258501 | 0.75 | EGFR (0.63) | EGFRHSP90AA1SYKRGS12ALDH1A1 | |
| SCHEMBL6260824 | 0.75 | EGFR (0.52) | EGFRHSP90AA1HKDC1SYKRGS12 | |
| SCHEMBL31060627 | 0.75 | EGFR (0.52) | EGFRHSP90AA1HKDC1SYKRGS12 | |
| SCHEMBL4973520 | 0.70 | HSP90AA1 (0.43) | EGFRHSP90AA1CKS1BSKP2SKP1 | |
| SCHEMBL17358251 | 0.69 | HSD11B1 (0.40) | ALDH1A1 | |
| SCHEMBL11510342 | 0.69 | CA12 (0.61) | EGFRHSP90AA1HKDC1SYKRGS12 |
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-2016190847-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES, LLC (US) | 2016-12-01 | — | — | WO | disclosed |