Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 12/20 | 0.77 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11187392 | 0.92 | ESR2 (0.68) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL11187396 | 0.92 | ESR2 (0.68) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL24597681 | 0.90 | ESR2 (0.65) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL19937427 | 0.90 | ESR2 (0.65) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL12303027 | 0.88 | ESR2 (0.63) | ESR2POLBCYP3A4CYP2C9 | |
| SCHEMBL436503 | 0.88 | ESR2 (0.63) | ESR2POLBCYP2C9SLC18A3DRD2 | |
| SCHEMBL13636373 | 0.88 | ESR2 (0.63) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL2612209 | 0.88 | ESR2 (1.00) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL7752607 | 0.88 | ESR2 (0.63) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL17866598 | 0.88 | 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 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 |