Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 10/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 9/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6985875 | 0.89 | LMNA (0.40) | HDAC1HDAC6HPGDKMT2ANPC1 | |
| SCHEMBL6989326 | 0.88 | RAB9A (0.38) | HPGDKMT2ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6985955 | 0.87 | NAMPT (0.37) | KMT2ANPC1RAB9ANAMPT | |
| SCHEMBL6987790 | 0.86 | TAS1R3 (0.38) | NPC1SMN1; SMN2RAB9ADRD2DRD4 | |
| SCHEMBL6987802 | 0.85 | KMT2A (0.41) | KMT2ANPC1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL6986218 | 0.84 | TRPV1 (0.40) | — | |
| SCHEMBL6986287 | 0.83 | CHRM4 (0.39) | HDAC1NPC1SMN1; SMN2RAB9ADRD2 | |
| SCHEMBL6990430 | 0.81 | GCGR (0.41) | DRD2DRD3 | |
| SCHEMBL7204140 | 0.80 | KMT2A (0.41) | HDAC1HDAC10HDAC6HDAC8HPGD | |
| SCHEMBL6751345 | 0.76 | CTSK (0.45) | HPGDALDH1A1HTTRAB9A |
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 |