Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6838478 | 0.92 | KDM5A (0.46) | KDM5AKDM5BCSNK2A1MEN1NPC1 | |
| SCHEMBL30622509 | 0.82 | KDM5A (0.46) | KDM5AKDM5BCSNK2A1MEN1NPC1 | |
| SCHEMBL3438307 | 0.79 | RAB9A (0.50) | MEN1NPC1RAB9AKMT2ATDP1 | |
| SCHEMBL25401227 | 0.76 | KDM4E (0.50) | NPC1RAB9AHDAC3HDAC1HDAC2 | |
| SCHEMBL29110339 | 0.75 | NPC1 (0.42) | MEN1NPC1RAB9AKMT2ATDP1 | |
| SCHEMBL1144800 | 0.74 | MAOA (0.56) | MEN1NPC1RAB9AKMT2ATDP1 | |
| SCHEMBL15681625 | 0.73 | HDAC3 (0.61) | KDM5AKDM5BCSNK2A1KMT2APTGER4 | |
| SCHEMBL6840268 | 0.73 | KDM5A (0.49) | KDM5AKDM5BNPC1RAB9APTGER4 | |
| SCHEMBL25402755 | 0.73 | HCAR3 (0.49) | KDM5AKDM5BMEN1NPC1RAB9A | |
| SCHEMBL6840368 | 0.73 | KDM4E (0.47) | MEN1NPC1RAB9AKMT2ATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |