Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL8732388 | 1.00 | NPC1 (0.50) | NPC1RAB9ABRD4ESR2ESR1 | |
| SCHEMBL10878892 | 0.90 | SLC18A3 (0.44) | ESR2ESR1CYP3A4CYP2C9IDO1 | |
| SCHEMBL10878886 | 0.90 | SLC18A3 (0.44) | ESR2ESR1CYP3A4CYP2C9IDO1 | |
| SCHEMBL18866839 | 0.87 | ESR2 (0.41) | NPC1RAB9AESR2ESR1CYP3A4 | |
| SCHEMBL17549574 | 0.87 | ESR2 (0.49) | NPC1RAB9AESR2ESR1CYP3A4 | |
| SCHEMBL8725097 | 0.85 | ESR2 (0.38) | NPC1RAB9AESR2ESR1CYP3A4 | |
| SCHEMBL8725091 | 0.85 | ESR2 (0.38) | NPC1RAB9AESR2ESR1CYP3A4 | |
| SCHEMBL10862270 | 0.84 | CYP2C9 (0.52) | NPC1RAB9AESR2ESR1CYP3A4 | |
| SCHEMBL11210312 | 0.84 | CYP2C9 (0.52) | NPC1RAB9AESR2ESR1CYP3A4 | |
| SCHEMBL12736282 | 0.84 | EP300 (0.38) | NPC1RAB9AESR2ESR1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882695-A1 | BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY | CHISSO CORPORATION (JP) | 1998-12-09 | — | — | EP | disclosed |