Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 4/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | ESRRB | O95718 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6985955 | 0.92 | NAMPT (0.37) | RAB9ANPC1LMNAMEN1KMT2A | |
| SCHEMBL6985875 | 0.90 | LMNA (0.40) | RAB9ASMN1; SMN2NPC1HPGDLMNA | |
| SCHEMBL6985259 | 0.88 | HDAC1 (0.40) | RAB9ASMN1; SMN2NPC1HPGDALDH1A1 | |
| SCHEMBL6987790 | 0.87 | TAS1R3 (0.38) | RAB9ASMN1; SMN2NPC1GAA | |
| SCHEMBL6986218 | 0.87 | TRPV1 (0.40) | NR1H4TRPV1 | |
| SCHEMBL6987802 | 0.85 | KMT2A (0.41) | RAB9ASMN1; SMN2NPC1LMNAALDH1A1 | |
| SCHEMBL6986287 | 0.83 | CHRM4 (0.39) | RAB9ASMN1; SMN2NPC1CTSK | |
| SCHEMBL6990430 | 0.82 | GCGR (0.41) | — | |
| SCHEMBL6300590 | 0.80 | ESRRG (0.36) | RAB9ASMN1; SMN2NPC1MAPK1TP53 | |
| SCHEMBL6751662 | 0.76 | CTSK (0.58) | CTSKCASP3 |
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 |