Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 9/20 | 0.61 |
| ▸ | ESR1 | P03372 | 7/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL22542897 | 1.00 | ESR2 (0.61) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| Hydroquinone SCHEMBL408939 | 0.87 | ESR2 (0.75) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| Biphenyl SCHEMBL28424673 | 0.83 | CYP2D6 (0.49) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL5527739 | 0.77 | GBA1 (0.64) | SLC18A3GBA1 | |
| SCHEMBL5756827 | 0.77 | ESR2 (0.68) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL5527735 | 0.77 | GBA1 (0.64) | SLC18A3GBA1 | |
| SCHEMBL12404102 | 0.77 | GBA1 (0.64) | SLC18A3GBA1 | |
| SCHEMBL10881534 | 0.77 | ESR2 (0.68) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL17729950 | 0.77 | ESR2 (0.68) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL23977206 | 0.76 | ESR2 (1.00) | ESR2ESR1CYP3A4CYP2C9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3394139-A1 | POLYURETHANE COMPOSITION WITH LOWER PLASTICISER MIGRATION | Sika Technology AG (CH) | 2018-10-31 | — | — | EP | disclosed |
| EP-0798699-A2 | Magnetic recording medium | TDK Corporation (JP) | 1997-10-01 | — | — | EP | disclosed |