Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 3/20 | 0.43 |
| ▸ | CCND1 | P24385 | 3/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 5/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10597919 | 0.77 | CDK4 (0.36) | CDK4CCND1ESR2ALOX5KDM4E | |
| SCHEMBL11052801 | 0.76 | ALOX5 (0.50) | ESR2ALOX5MEN1MAPTKMT2A | |
| SCHEMBL9418189 | 0.73 | TRPV1 (0.50) | KDM4EMAPTHPGD | |
| SCHEMBL9418191 | 0.73 | HDAC3 (0.33) | CDK4CCND1ESR2ALDH1A1HPGD | |
| SCHEMBL10358862 | 0.70 | HTR2A (0.48) | KDM4EALDH1A1MEN1MAPTHPGD | |
| SCHEMBL31205757 | 0.70 | HTR2A (0.48) | KDM4EALDH1A1MEN1MAPTHPGD | |
| SCHEMBL10594275 | 0.69 | GCGR (0.41) | ESR2ALOX5MEN1MAPTKMT2A | |
| SCHEMBL19125628 | 0.69 | ALOX5 (0.53) | CDK4CCND1ESR2ALOX5KDM4E | |
| SCHEMBL7654701 | 0.69 | MCL1 (0.37) | KDM4EALDH1A1MEN1MAPTHPGD | |
| SCHEMBL7651008 | 0.67 | MCL1 (0.38) | KDM4EALDH1A1MEN1MAPTHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0163416-B1 | PHENOL DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | disclosed |
| US-4751240-A | ANTIFERTILITY AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-06-14 | — | — | US | disclosed |
| EP-0163416-A2 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-12-04 | — | — | EP | disclosed |