Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 10/20 | 0.43 |
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11217896 | 1.00 | ESR2 (0.43) | ESR2ESR1CYP2C9CYP3A4NPC1 | |
| SCHEMBL11210597 | 0.94 | ESR2 (0.47) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL11210601 | 0.94 | ESR2 (0.47) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL9306498 | 0.93 | NPC1 (0.50) | ESR2ESR1CYP2C9CYP3A4NPC1 | |
| SCHEMBL8575153 | 0.93 | NPC1 (0.50) | ESR2ESR1CYP2C9CYP3A4NPC1 | |
| SCHEMBL10997235 | 0.92 | ESR2 (0.38) | ESR2ESR1CYP2C9CYP3A4NPC1 | |
| SCHEMBL11033780 | 0.92 | ESR2 (0.38) | ESR2ESR1CYP2C9CYP3A4NPC1 | |
| SCHEMBL11331114 | 0.92 | ESR2 (0.38) | ESR2ESR1CYP2C9CYP3A4NPC1 | |
| SCHEMBL11331112 | 0.92 | ESR2 (0.38) | ESR2ESR1CYP2C9CYP3A4NPC1 | |
| SCHEMBL10997233 | 0.92 | ESR2 (0.38) | ESR2ESR1CYP2C9CYP3A4NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-58208241-A | — | — | None | — | — | JP | disclosed |
| JP-S58208241-A | PREPARATION OF 4,4'-BIS-(TRANS-4-ALKYLCYCLOHEXYL)-BIPHENYL COMPOUND | HAMASAWA KOGYO:KK | 1983-12-03 | — | — | JP | 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 |