Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 9/20 | 0.45 |
| ▸ | ESR1 | P03372 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11190830 | 1.00 | ESR2 (0.45) | ESR2ESR1CYP2C9CYP3A4FFAR1 | |
| SCHEMBL11186232 | 0.95 | ESR2 (0.49) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL11186227 | 0.95 | ESR2 (0.49) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL11194976 | 0.89 | ESR2 (0.37) | ESR2ESR1CYP2C9CYP3A4FFAR1 | |
| SCHEMBL11194973 | 0.89 | ESR2 (0.37) | ESR2ESR1CYP2C9CYP3A4FFAR1 | |
| SCHEMBL11281810 | 0.88 | ESR2 (0.36) | ESR2ESR1CYP2C9CYP3A4FFAR1 | |
| SCHEMBL10948007 | 0.87 | ADRB2 (0.35) | ESR2ESR1CYP2C9CYP3A4FFAR1 | |
| SCHEMBL11288418 | 0.87 | SPHK1 (0.35) | ESR2ESR1CYP2C9CYP3A4FFAR1 | |
| SCHEMBL11185757 | 0.87 | CYP2C9 (0.50) | ESR2ESR1CYP2C9CYP3A4FFAR1 | |
| SCHEMBL11185762 | 0.87 | CYP2C9 (0.50) | ESR2ESR1CYP2C9CYP3A4FFAR1 |
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-0030277-B1 | PARTIALLY HYDROGENATED OLIGO-1,4-PHENYLENES, DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL INDICATING DEVICE | MERCK PATENT GmbH (DE) | 1983-07-27 | — | — | EP | disclosed |
| US-4331552-A | Liquid crystalline, partially hydrogenated oligo-1,4-phenylenes and dielectrics and electro-optical display elements containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-05-25 | — | — | US | disclosed |
| EP-0030277-A1 | Partially hydrogenated oligo-1,4-phenylenes, dielectrics containing them and electro-optical indicating device | MERCK PATENT GmbH (DE) | 1981-06-17 | — | — | EP | disclosed |