Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 3/20 | 0.46 |
| ▸ | CTSB | P07858 | 3/20 | 0.46 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.45 |
| ▸ | PTPRA | P18433 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7250149 | 0.85 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2LMNACTSL | |
| SCHEMBL6583144 | 0.85 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2LMNACTSL | |
| Lithium SCHEMBL7159425 | 0.84 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2LMNACTSL | |
| SCHEMBL7159417 | 0.84 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2LMNACTSL | |
| SCHEMBL7383216 | 0.84 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL7297305 | 0.83 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL6987816 | 0.83 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| SCHEMBL7452849 | 0.81 | CTSL (0.58) | NPC1RAB9ASMN1; SMN2LMNAGPR132 | |
| SCHEMBL276664 | 0.80 | ITGB3 (0.59) | CTSLCTSBCTSSITGB3ITGA2B | |
| SCHEMBL5624749 | 0.80 | ITGB3 (0.59) | CTSLCTSBCTSSITGB3ITGA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051625-A1 | ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES | Du Pont Pharmaceuticals Company (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999038014-A1 | ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-07-29 | — | — | WO | disclosed |