Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | MOGAT2 | Q3SYC2 | 9/20 | 0.32 |
| ▸ | ESR1 | P03372 | 5/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10672680 | 0.89 | — | — | |
| SCHEMBL10669686 | 0.85 | ESR1 (0.32) | ESR1ESR2 | |
| SCHEMBL10672685 | 0.80 | — | — | |
| SCHEMBL10641700 | 0.79 | ESR1 (0.44) | ESR1ESR2CYP3A4 | |
| SCHEMBL10597263 | 0.77 | ESR1 (0.37) | CA12CA9MIFMAOAMAOB | |
| SCHEMBL10596570 | 0.75 | CA12 (0.35) | CA12CA9MIFMAOAMAOB | |
| SCHEMBL5367335 | 0.68 | ESR1 (0.35) | ESR1ESR2CYP2C9HSD17B1HSD17B2 | |
| SCHEMBL5353460 | 0.68 | ESR1 (0.35) | ESR1ESR2CYP2C9HSD17B1HSD17B2 | |
| SCHEMBL10594275 | 0.67 | GCGR (0.41) | ESR1ESR2CYP3A4 | |
| SCHEMBL10597919 | 0.67 | CDK4 (0.36) | ESR1ESR2HSD17B1HSD17B2TLR8 |
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 5 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 | claimed |
| US-4751240-A | ANTIFERTILITY AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-06-14 | — | — | US | claimed |
| EP-0163416-A2 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-12-04 | — | — | EP | claimed |
| 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 |