Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.30 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.30 |
| ▸ | MOGAT2 | Q3SYC2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10597919 | 0.91 | CDK4 (0.36) | ESR1ESR2TLR8HSD17B1HSD17B2 | |
| SCHEMBL10596570 | 0.84 | CA12 (0.35) | ESR1ESR2TLR8CA12CA9 | |
| SCHEMBL10594275 | 0.79 | GCGR (0.41) | ESR1ESR2 | |
| SCHEMBL5353460 | 0.77 | ESR1 (0.35) | ESR1ESR2HSD17B1HSD17B2KCNJ11 | |
| SCHEMBL5367335 | 0.77 | ESR1 (0.35) | ESR1ESR2HSD17B1HSD17B2KCNJ11 | |
| SCHEMBL10672680 | 0.77 | — | — | |
| SCHEMBL10594759 | 0.77 | CA12 (0.32) | ESR1ESR2TLR8CA12CA9 | |
| SCHEMBL9580333 | 0.76 | ESR1 (0.46) | ESR1ESR2 | |
| SCHEMBL5350016 | 0.75 | ESR1 (0.34) | ESR1ESR2MIFKCNJ11 | |
| SCHEMBL4965710 | 0.73 | ESR1 (0.55) | ESR1ESR2 |
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 |