Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 8/20 | 0.37 |
| ▸ | DRD2 | P14416 | 7/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | PREP | P48147 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6985955 | 0.84 | NAMPT (0.37) | DPP4NPC1RAB9A | |
| SCHEMBL6985875 | 0.84 | LMNA (0.40) | HDAC1NPC1RAB9ASMN1; SMN2CTSK | |
| SCHEMBL6989326 | 0.83 | RAB9A (0.38) | NPC1RAB9ASMN1; SMN2CTSK | |
| SCHEMBL6985259 | 0.83 | HDAC1 (0.40) | HDAC1DRD4DRD2NPC1RAB9A | |
| SCHEMBL6987790 | 0.82 | TAS1R3 (0.38) | DRD4DRD2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6987802 | 0.80 | KMT2A (0.41) | NPC1RAB9ASMN1; SMN2ATM | |
| SCHEMBL6986218 | 0.80 | TRPV1 (0.40) | — | |
| SCHEMBL6990430 | 0.79 | GCGR (0.41) | DRD2HTR2A | |
| SCHEMBL6751274 | 0.79 | CTSK (0.50) | CTSSCTSBHPGDSCTSLCTSK | |
| SCHEMBL6988884 | 0.77 | CTSS (0.36) | CHRM4HDAC1CTSSCTSBDRD4 |
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-1362042-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002057249-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |