Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.52 |
| ▸ | CNR1 | P21554 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10589338 | 0.86 | ESR1 (0.52) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL10412814 | 0.83 | ESR1 (0.48) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL29375092 | 0.78 | ESR1 (0.60) | ESR1ESR2ALDH1A1CYP3A4HPGD | |
| Lithium SCHEMBL30790417 | 0.76 | ESR1 (0.58) | ESR1ESR2ALDH1A1CYP3A4HPGD | |
| SCHEMBL1176967 | 0.76 | ESR1 (0.47) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL237756 | 0.75 | ESR1 (0.61) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL298177 | 0.75 | ALOX5 (0.32) | ALDH1A1CA2 | |
| SCHEMBL34468242 | 0.73 | ESR1 (0.54) | ESR1ESR2ALDH1A1CYP3A4HPGD | |
| SCHEMBL4063769 | 0.72 | ESR1 (0.47) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| Bicarbonate SCHEMBL29759563 | 0.72 | ESR1 (0.52) | ESR1ESR2ALDH1A1CYP3A4CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4895200-A | 1,3-BIS(4-HYDROXYCUMYL)BENZENE, 1,4-BIS(4-HYDROXYXUMYL)BENZENE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1990-01-23 | — | — | US | disclosed |
| US-4824928-A | BIS/P-HYDROXYCUMYL/BENZENE, PHENYLHYDROQUINONE, TEREPHTHALIC ACID, ANISOTROPIC | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1989-04-25 | — | — | US | disclosed |