Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1596134 | 0.81 | CA1 (0.48) | CA1CA2ESR1ESR2PTGS1 | |
| SCHEMBL1596739 | 0.81 | CA1 (0.48) | CA1CA2ESR1ESR2PTGS1 | |
| SCHEMBL2570936 | 0.79 | ESR1 (0.46) | CA1CA2ESR1ESR2PTGS1 | |
| SCHEMBL11345680 | 0.77 | CA1 (0.44) | CA1CA2ESR1ESR2PTGS1 | |
| SCHEMBL1597151 | 0.77 | CA1 (0.44) | CA1CA2ESR1ESR2PTGS1 | |
| SCHEMBL11353335 | 0.77 | CA1 (0.44) | CA1CA2ESR1ESR2PTGS1 | |
| SCHEMBL11355559 | 0.77 | ESR1 (0.45) | ESR1ESR2PTGS1ALDH1A1CYP3A4 | |
| SCHEMBL23854324 | 0.76 | CA1 (0.42) | CA1CA2ESR1ESR2PTGS1 | |
| SCHEMBL7202914 | 0.76 | ESR1 (0.43) | CA1CA2ESR1ESR2PTGS1 | |
| SCHEMBL10430109 | 0.76 | CA1 (0.42) | CA1CA2ESR1ESR2PTGS1 |
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-0001909-B1 | PREPARATION OF 1,2-BIS(4-HYDROXYARYL)ETHANES BY ONE-STEP DEHYDROHALOGENATION-REARRANGEMENT-HYDROGENATION OF 1,1-BIS(4-HYDROXYARYL)-2-HALOETHANES, WHICH MAY BE FOLLOWED BY ACYLATION | MONSANTO COMPANY (US) | 1981-08-12 | — | — | EP | disclosed |
| US-4189610-A | Preparation of 4,4-dioxy-substituted stilbenes | MONSANTO COMPANY (US) | 1980-02-19 | — | — | US | disclosed |
| US-4156787-A | HYDROGENATION CATALYST | MONSANTO COMPANY (US) | 1979-05-29 | — | — | US | disclosed |