Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8118408 | 0.84 | KDM4E (0.59) | NPC1RAB9AKDM4EMAOAMAOB | |
| Hydrochloric Acid SCHEMBL8824042 | 0.83 | KDM4E (0.58) | NPC1RAB9AKDM4EMAOAMAOB | |
| SCHEMBL27575993 | 0.80 | ITGB3 (0.54) | NPC1RAB9ABAZ2AKDM4EITGB3 | |
| SCHEMBL7430139 | 0.79 | ITGB3 (0.56) | NPC1RAB9ABAZ2ANPY5RKDM4E | |
| Bromide SCHEMBL6185442 | 0.79 | ITGB3 (0.53) | NPC1RAB9ABAZ2AKDM4EITGB3 | |
| SCHEMBL14349548 | 0.77 | RAB9A (0.54) | NPC1RAB9ABAZ2ATYRKDM4E | |
| SCHEMBL4155889 | 0.75 | NPC1 (0.52) | NPC1RAB9ABAZ2ANPY5RTYR | |
| SCHEMBL25140729 | 0.74 | KCNH2 (0.52) | NPC1RAB9ANPY5RKDM4EMEN1 | |
| SCHEMBL7533964 | 0.73 | ENPP2 (0.51) | NPC1RAB9AITGB3ITGA2BENPP2 | |
| SCHEMBL13334977 | 0.72 | BAZ2A (0.43) | NPC1RAB9ABAZ2ANPY5RTYR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002023784-A2 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-03-21 | — | — | WO | claimed |
| WO-2002023784-A2 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-03-21 | — | — | WO | disclosed |