Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | SCN1A | P35498 | 2/20 | 0.51 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA4 | P22748 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17486855 | 0.81 | BCHE (0.51) | BCHEALDH1A1HSD17B10SCN1ASCN2A | |
| SCHEMBL19287439 | 0.76 | HTR1B (0.56) | ALDH1A1HSD17B10SCN1ASCN2ASCN3A | |
| SCHEMBL11283741 | 0.75 | CA12 (0.77) | BCHEALDH1A1HSD17B10CA12CA4 | |
| SCHEMBL9850321 | 0.75 | MAPT (0.63) | BCHEALDH1A1HSD17B10CA12CA4 | |
| Hydrochloric Acid SCHEMBL4443499 | 0.74 | ALDH1A1 (0.78) | BCHEALDH1A1HSD17B10CA12CA4 | |
| SCHEMBL17486848 | 0.73 | BCHE (0.58) | BCHEALDH1A1HSD17B10SCN1ASCN2A | |
| SCHEMBL17486853 | 0.73 | BCHE (0.51) | BCHEALDH1A1HSD17B10SCN1ASCN2A | |
| SCHEMBL32664495 | 0.73 | CA12 (0.61) | ALDH1A1CA12CA9KDM4ERECQL | |
| SCHEMBL634315 | 0.73 | CA12 (0.61) | ALDH1A1CA12CA9KDM4ERECQL | |
| Hydrochloric Acid SCHEMBL30639783 | 0.73 | LMNA (0.71) | ALDH1A1HSD17B10SCN1ASCN2ASCN3A |
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 |
|---|---|---|---|---|---|---|---|
| US-9745319-B2 | Irreversible covalent inhibitors of the GTPase K-Ras G12C | ARAXES PHARMA LLC (US) | 2017-08-29 | — | — | US | disclosed |