Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | PLAT | P00750 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.40 |
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9810457 | 1.00 | NPC1 (0.55) | NPC1RAB9AAKR1C3AKR1C1LMNA | |
| SCHEMBL10817633 | 1.00 | NPC1 (0.55) | NPC1RAB9AAKR1C3AKR1C1LMNA | |
| SCHEMBL11210601 | 0.85 | ESR2 (0.47) | LMNAESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL11210597 | 0.85 | ESR2 (0.47) | LMNAESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL1449324 | 0.85 | PLG (0.54) | NPC1RAB9ALMNAPLGPLAT | |
| SCHEMBL1449326 | 0.85 | PLG (0.54) | NPC1RAB9ALMNAPLGPLAT | |
| SCHEMBL5474554 | 0.84 | CYP2C9 (0.46) | NPC1RAB9ALMNAESR2ESR1 | |
| Bicarbonate SCHEMBL11038434 | 0.84 | HAO1 (0.47) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL7731601 | 0.84 | CYP2C9 (0.46) | NPC1RAB9ALMNAESR2ESR1 | |
| Hydrochloric Acid SCHEMBL10350194 | 0.83 | PLG (0.52) | NPC1RAB9ALMNAPLGPLAT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0090671-A1 | Carbocylic esters having liquid-crystal properties at high temperatures | Chisso Corporation (JP) | 1983-10-05 | — | — | EP | claimed |
| US-5068389-A | TERTIARY ALCOHOLS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |
| US-4701547-A | POSITIVE DIELECTRIC ANISOTROPHY | CHISSO CORPORATION (JP) | 1987-10-20 | — | — | US | disclosed |
| EP-0090671-B1 | CARBOCYLIC ESTERS HAVING LIQUID-CRYSTAL PROPERTIES AT HIGH TEMPERATURES | Chisso Corporation (JP) | 1985-06-19 | — | — | EP | disclosed |
| US-4502974-A | SUBSTITUTED WITH HALOGEN OR NITRILE | CHISSO CORPORATION (JP) | 1985-03-05 | — | — | US | disclosed |
| EP-0090671-A1 | Carbocylic esters having liquid-crystal properties at high temperatures | Chisso Corporation (JP) | 1983-10-05 | — | — | EP | disclosed |