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 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10416794 | 0.86 | NPC1 (0.40) | NPC1RAB9AAKR1C3AKR1C1S1PR1 | |
| SCHEMBL10416792 | 0.86 | NPC1 (0.40) | NPC1RAB9AAKR1C3AKR1C1S1PR1 | |
| SCHEMBL28770396 | 0.85 | CYP3A4 (0.45) | CYP1A2CYP2D6MAPK1HSD17B10MAPT | |
| Allylbenzene SCHEMBL10897848 | 0.83 | L3MBTL1 (0.49) | NPC1RAB9AAKR1C3AKR1C1S1PR1 | |
| SCHEMBL10817633 | 0.81 | NPC1 (0.55) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL9810459 | 0.81 | NPC1 (0.55) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL9810457 | 0.81 | NPC1 (0.55) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL11054102 | 0.80 | ESR2 (0.53) | CYP1A2CYP2D6MAPK1HSD17B10MAPT | |
| SCHEMBL11054098 | 0.80 | ESR2 (0.53) | CYP1A2CYP2D6MAPK1HSD17B10MAPT | |
| SCHEMBL8522435 | 0.80 | CYP3A4 (0.34) | NPC1RAB9ACYP1A2CYP2D6MAPK1 |
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-0336619-B1 | Optically active pyridylethanol derivatives | CHISSO CORP (JP) | 1995-02-22 | — | — | EP | disclosed |
| US-4965018-A | LIQUID CRYSTAL; HIGH TWISTABILITY, TEMPERTURE CHARACTERISTICS | CHISSO CORPORATION (JP) | 1990-10-23 | — | — | US | disclosed |
| EP-0336619-A2 | Optically active pyridylethanol derivatives | Chisso Corporation (JP) | 1989-10-11 | — | — | EP | disclosed |