Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 5/20 | 0.37 |
| ▸ | AR | P10275 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | PLA2G4A | P47712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7731592 | 0.97 | TSHR (0.39) | NPC1ALDH1A1HPGDCASP3RAB9A | |
| SCHEMBL7732553 | 0.94 | DAO (0.39) | NPC1ALDH1A1HPGDCASP3RAB9A | |
| SCHEMBL7733482 | 0.93 | AR (0.39) | ALDH1A1HPGDL3MBTL1TRPV4AR | |
| SCHEMBL7729846 | 0.91 | DAO (0.38) | NPC1ALDH1A1HPGDCASP3RAB9A | |
| SCHEMBL7735351 | 0.88 | TRPV4 (0.39) | TRPV4ARCYP11B1CYP11B2 | |
| SCHEMBL7735367 | 0.87 | TSHR (0.35) | NPC1ALDH1A1HPGDCASP3RAB9A | |
| SCHEMBL7722882 | 0.87 | DAO (0.40) | TRPV4ARCYP11B1CYP11B2DAO | |
| SCHEMBL7731480 | 0.86 | TRPV4 (0.34) | TRPV4ARCYP11B1CYP11B2 | |
| SCHEMBL7731471 | 0.86 | TRPV4 (0.34) | TRPV4ARCYP11B1CYP11B2 | |
| SCHEMBL7722535 | 0.85 | TRPV4 (0.33) | TRPV4ARCYP11B1CYP11B2 |
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-0786445-B1 | DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORP (JP) | 2002-07-17 | — | — | EP | disclosed |