Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KLK7 | P49862 | 2/20 | 0.51 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.51 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CASR | P41180 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5862101 | 0.77 | NPC1 (1.00) | NPC1KMT2AMEN1RAB9AALDH1A1 | |
| SCHEMBL28497417 | 0.77 | NPC1 (1.00) | NPC1KMT2AMEN1RAB9AALDH1A1 | |
| SCHEMBL4651769 | 0.77 | NPC1 (0.49) | NPC1KMT2AMEN1RAB9AALOX5 | |
| SCHEMBL16562080 | 0.75 | NPC1 (0.77) | NPC1KMT2AMEN1RAB9AALDH1A1 | |
| SCHEMBL12757447 | 0.75 | ALDH1A1 (0.62) | NPC1KMT2AMEN1RAB9AALDH1A1 | |
| SCHEMBL5017848 | 0.74 | ALDH1A1 (0.58) | NPC1KMT2AMEN1RAB9AALDH1A1 | |
| SCHEMBL16254370 | 0.74 | NPC1 (0.60) | NPC1KMT2ARAB9AALDH1A1PLA2G1B | |
| SCHEMBL15892590 | 0.74 | NPC1 (0.60) | NPC1KMT2ARAB9AALDH1A1PLA2G1B | |
| SCHEMBL28147642 | 0.74 | NPC1 (0.60) | NPC1KMT2ARAB9AALDH1A1PLA2G1B | |
| SCHEMBL29699752 | 0.74 | ALDH1A1 (0.60) | NPC1KMT2AMEN1RAB9AALDH1A1 |
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-0680469-B1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-04-26 | — | — | EP | disclosed |