Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6047654 | 0.83 | NUDT1 (0.42) | NPC1RAB9ACYP11B1CYP11B2MAPK14 | |
| SCHEMBL6047650 | 0.81 | CYP24A1 (0.40) | NPC1RAB9AMAPK14KDM4EALDH1A1 | |
| SCHEMBL6047634 | 0.79 | CYP1A1 (0.40) | PDE2AMAPK14CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL6047612 | 0.78 | MAOB (0.40) | RAB9AMAPK14KDM4EALDH1A1GAA | |
| SCHEMBL6047630 | 0.77 | CYP3A4 (0.39) | CYP11B1CYP11B2MAPK14ALDH1A1CYP17A1 | |
| SCHEMBL6047641 | 0.76 | ALKBH3 (0.34) | RAB9ACYP11B1CYP11B2ALDH1A1GAA | |
| SCHEMBL6047586 | 0.74 | CHRNA7 (0.35) | NPC1RAB9AKDM4EMAPTALOX15 | |
| SCHEMBL18436302 | 0.72 | CD274 (0.48) | NPC1RAB9AAMY1ACYP11B1CYP11B2 | |
| SCHEMBL6047626 | 0.72 | NPC1 (0.36) | NPC1RAB9APDE2APDE10AKDM4E | |
| SCHEMBL29048448 | 0.64 | RAB9A (0.51) | NPC1RAB9AAMY1AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2006501194-A | — | — | 2006-01-12 | — | — | JP | claimed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | claimed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | claimed |