Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ESRRB | O95718 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESRRA | P11474 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9724150 | 0.83 | LMNA (0.51) | ALDH1A1KDM4EPKMLMNA | |
| SCHEMBL9724221 | 0.78 | KDM4E (0.40) | CYP4F2CYP4A11ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL9724181 | 0.78 | PRKAB2 (0.36) | CYP4F2CYP4A11CYP3A4PLA2G2ACYP2C19 | |
| SCHEMBL9724211 | 0.76 | NT5E (0.39) | CYP4F2CYP4A11CYP3A4CYP2C19KDM4E | |
| SCHEMBL9555823 | 0.75 | ALDH1A1 (0.44) | ALDH1A1KDM4ENPC1RAB9ALMNA | |
| SCHEMBL9383680 | 0.74 | NPC1 (0.41) | CYP4F2CYP4A11ALDH1A1KDM4ENPC1 | |
| SCHEMBL9382898 | 0.73 | CYP4F2 (0.39) | CYP4F2CYP4A11ALDH1A1CYP3A4KDM4E | |
| SCHEMBL14358894 | 0.73 | CYP1A2 (0.44) | ALDH1A1CYP3A4PLA2G2ACYP2C19CYP1A2 | |
| SCHEMBL2671797 | 0.73 | ELANE (0.41) | ALDH1A1NOTUMCYP2C19CYP1A2NPC1 | |
| SCHEMBL336664 | 0.73 | CYP4F2 (0.49) | CYP4F2CYP4A11ALDH1A1CYP3A4NOTUM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |
| EP-0318225-A2 | 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | disclosed |