Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 9/20 | 0.47 |
| ▸ | HTR7 | P34969 | 9/20 | 0.47 |
| ▸ | HTR2A | P28223 | 9/20 | 0.47 |
| ▸ | HTR1A | P08908 | 8/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6629063 | 1.00 | NPC1 (0.49) | NPC1RAB9AHPGDSMN1; SMN2DRD2 | |
| SCHEMBL6062843 | 0.84 | NPC1 (0.45) | NPC1RAB9AHPGDSMN1; SMN2DRD2 | |
| SCHEMBL6061815 | 0.83 | NPC1 (0.44) | NPC1RAB9AHPGDSMN1; SMN2DRD2 | |
| SCHEMBL6063802 | 0.83 | HPGD (0.44) | NPC1RAB9AHPGDSMN1; SMN2DRD2 | |
| SCHEMBL6632592 | 0.80 | HTR1A (0.43) | NPC1RAB9AHPGDSMN1; SMN2DRD2 | |
| SCHEMBL6632589 | 0.80 | HTR1A (0.43) | NPC1RAB9AHPGDSMN1; SMN2DRD2 | |
| SCHEMBL6630749 | 0.80 | DAGLA (0.53) | ALDH1A1 | |
| SCHEMBL6631134 | 0.79 | DRD2 (0.44) | NPC1RAB9AHPGDSMN1; SMN2DRD2 | |
| SCHEMBL6650551 | 0.77 | MAPK1 (0.47) | NPC1RAB9AHPGDSMN1; SMN2MAPK1 | |
| SCHEMBL6691808 | 0.77 | MAPK1 (0.47) | NPC1RAB9AHPGDSMN1; SMN2MAPK1 |
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-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |