Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.55 |
| ▸ | BRD4 | O60885 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | CDK4 | P11802 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | KDM5A | P29375 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | MPL | P40238 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11705503 | 0.81 | TNKS2 (0.76) | KDM4EALDH1A1TNKS2BRD4HTT | |
| SCHEMBL1193735 | 0.78 | KDM4E (1.00) | KDM4EALDH1A1TNKS2HTTHPGD | |
| SCHEMBL29624606 | 0.78 | KDM4E (1.00) | KDM4EALDH1A1TNKS2HTTHPGD | |
| SCHEMBL1771872 | 0.76 | AR (0.61) | TNKS2AR | |
| SCHEMBL19041639 | 0.76 | CDK4 (0.57) | KDM4EALDH1A1TNKS2HTTHPGD | |
| SCHEMBL149685 | 0.76 | CDK4 (0.57) | KDM4EALDH1A1TNKS2HTTHPGD | |
| SCHEMBL29386403 | 0.76 | CDK4 (0.57) | KDM4EALDH1A1TNKS2HTTHPGD | |
| SCHEMBL3365890 | 0.76 | CDK4 (0.57) | KDM4EALDH1A1TNKS2HTTHPGD | |
| SCHEMBL30300831 | 0.76 | CDK4 (0.57) | KDM4EALDH1A1TNKS2HTTHPGD | |
| SCHEMBL17154708 | 0.76 | CDK4 (0.57) | KDM4EALDH1A1TNKS2HTTHPGD |
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 |