Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6638004 | 1.00 | NPC1 (0.47) | NPC1RAB9AOPRK1FAAHMGLL | |
| SCHEMBL6638010 | 1.00 | NPC1 (0.47) | NPC1RAB9AOPRK1FAAHMGLL | |
| SCHEMBL2212854 | 0.85 | NPC1 (0.43) | NPC1RAB9AOPRK1FAAHMGLL | |
| SCHEMBL2212851 | 0.85 | NPC1 (0.43) | NPC1RAB9AOPRK1FAAHMGLL | |
| SCHEMBL5893113 | 0.81 | MEN1 (0.43) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL178749 | 0.81 | NPC1 (0.47) | NPC1RAB9AFAAHMGLLMEN1 | |
| SCHEMBL13756220 | 0.81 | NPC1 (0.47) | NPC1RAB9AFAAHMGLLMEN1 | |
| SCHEMBL2209313 | 0.79 | NPC1 (0.39) | NPC1RAB9AOPRK1FAAHMGLL | |
| SCHEMBL2209317 | 0.79 | NPC1 (0.39) | NPC1RAB9AOPRK1FAAHMGLL | |
| SCHEMBL14287320 | 0.79 | TACR3 (0.42) | NPC1RAB9AMGLLSYKMAPT |
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-1005445-B1 | N-ALKANOYLPHENYLALANINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-05-26 | — | — | EP | disclosed |
| EP-1403247-A1 | N-Alkanoylphenylalanine derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2004-03-31 | — | — | EP | disclosed |
| US-6229011-B1 | BINDING INHIBITORS BETWEEN VASCULAR ADHESION MOLECULE-1 AND ALPHA. BETA.INTEGRIN; USEFUL FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES SUCH AS MULTIPLE SCLEROSIS, ASTHMA, AND INFLAMMATORY BOWEL DISEASE | HOFFMAN-LA ROCHE INC. | 2001-05-08 | — | — | US | disclosed |