Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 7/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MOGAT2 | Q3SYC2 | 5/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 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 | |
|---|---|---|---|---|
| SCHEMBL10597263 | 0.84 | ESR1 (0.37) | CA12CA9ESR1ESR2MIF | |
| SCHEMBL5353460 | 0.78 | ESR1 (0.35) | ESR1ESR2CYP3A4HSD17B10KCNJ11 | |
| SCHEMBL5367335 | 0.78 | ESR1 (0.35) | ESR1ESR2CYP3A4HSD17B10KCNJ11 | |
| SCHEMBL5350016 | 0.76 | ESR1 (0.34) | ESR1ESR2MEN1KMT2AKDM4E | |
| SCHEMBL10672680 | 0.76 | — | — | |
| SCHEMBL10597919 | 0.75 | CDK4 (0.36) | ESR1ESR2MEN1KMT2AKDM4E | |
| SCHEMBL10594759 | 0.75 | CA12 (0.32) | CA12CA9ESR1ESR2CYP3A4 | |
| SCHEMBL5355406 | 0.72 | ESR2 (0.37) | ESR1ESR2TLR8 | |
| SCHEMBL5358409 | 0.71 | ESR1 (0.36) | ESR1ESR2HSD17B10KCNJ11CYP2C9 | |
| SCHEMBL5359963 | 0.71 | ESR1 (0.33) | ESR1ESR2KCNJ11 |
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 |