Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 3/20 | 0.36 |
| ▸ | CCND1 | P24385 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.35 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.30 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10597263 | 0.91 | ESR1 (0.37) | ESR2ESR1HSD17B1HSD17B2TLR8 | |
| SCHEMBL5367335 | 0.78 | ESR1 (0.35) | ESR2ESR1HSD17B1HSD17B2 | |
| SCHEMBL5353460 | 0.78 | ESR1 (0.35) | ESR2ESR1HSD17B1HSD17B2 | |
| SCHEMBL10593635 | 0.77 | CDK4 (0.43) | CDK4CCND1ESR2ESR1KDM4E | |
| SCHEMBL10594275 | 0.76 | GCGR (0.41) | ESR2ESR1MEN1MAPTKMT2A | |
| SCHEMBL5350016 | 0.76 | ESR1 (0.34) | ESR2ESR1KDM4EMEN1ALDH1A1 | |
| SCHEMBL10596570 | 0.75 | CA12 (0.35) | ESR2ESR1KDM4EMEN1ALDH1A1 | |
| SCHEMBL5359963 | 0.73 | ESR1 (0.33) | ESR2ESR1 | |
| SCHEMBL9580333 | 0.72 | ESR1 (0.46) | ESR2ESR1KDM4EALDH1A1MAPT | |
| SCHEMBL4965710 | 0.72 | ESR1 (0.55) | ESR2ESR1 |
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 |