Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7032739 | 1.00 | NPC1 (0.36) | NPC1RAB9AALDH1A1HPGDMAPT | |
| SCHEMBL731682 | 0.91 | ALDH1A1 (0.39) | NPC1RAB9AALDH1A1HPGDMAPT | |
| SCHEMBL18100605 | 0.85 | NPC1 (0.34) | NPC1RAB9A | |
| SCHEMBL9481353 | 0.81 | NPC1 (0.37) | NPC1RAB9AALDH1A1MAPTSCD5 | |
| SCHEMBL7780450 | 0.81 | NPC1 (0.37) | NPC1RAB9AALDH1A1MAPTSCD5 | |
| SCHEMBL12228210 | 0.78 | NPC1 (0.33) | NPC1RAB9A | |
| SCHEMBL29878889 | 0.78 | HTR2C (0.47) | NPC1ALDH1A1SCD5TAAR1KDM1A | |
| SCHEMBL1515236 | 0.78 | HTR2C (0.47) | NPC1ALDH1A1SCD5TAAR1KDM1A | |
| SCHEMBL6459474 | 0.77 | NPC1 (0.32) | NPC1RAB9A | |
| SCHEMBL17366367 | 0.77 | KMO (0.44) | NPC1RAB9ALMNAGAASCD5 |
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-0754668-B1 | Fluorobenzylether derivatives | ROLIC AG (CH) | 2003-02-05 | — | — | EP | disclosed |
| US-5888423-A | Fluorobenzyl ether derivatives | ROLIC AG (CH) | 1999-03-30 | — | — | US | disclosed |
| EP-0754668-A2 | Fluorobenzylether derivatives | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |