Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.55 |
| ▸ | CTSK | P43235 | 3/20 | 0.55 |
| ▸ | CTSB | P07858 | 2/20 | 0.55 |
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | ACE | P12821 | 2/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.47 |
| ▸ | CCKAR | P32238 | 1/20 | 0.46 |
| ▸ | CCKBR | P32239 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1888967 | 0.89 | ACE (0.59) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL1888965 | 0.89 | ACE (0.59) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL3470656 | 0.81 | PTPN1 (0.47) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL1197182 | 0.80 | ALDH1A1 (0.52) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL15875597 | 0.80 | ALDH1A1 (0.52) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL2108529 | 0.80 | CTSS (0.65) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL2783277 | 0.79 | CTSS (0.56) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL2783339 | 0.79 | CTSS (0.56) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL7277966 | 0.78 | CTSS (0.64) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL606309 | 0.78 | ACE (0.79) | CTSSCTSKCTSBCTSLACE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011061675-A1 | PROCESS FOR ENANTIOSELECTIVE PREPARATION OF NITROKETONE, AN INTERMEDIATE OF PROTEASE INHIBITORS | PIRAMAL HEALTHCARE LIMITED (IN) | 2011-05-26 | — | — | WO | claimed |
| WO-2011061675-A1 | PROCESS FOR ENANTIOSELECTIVE PREPARATION OF NITROKETONE, AN INTERMEDIATE OF PROTEASE INHIBITORS | PIRAMAL HEALTHCARE LIMITED (IN) | 2011-05-26 | — | — | WO | disclosed |
| WO-2011061675-A1 | PROCESS FOR ENANTIOSELECTIVE PREPARATION OF NITROKETONE, AN INTERMEDIATE OF PROTEASE INHIBITORS | PIRAMAL HEALTHCARE LIMITED (IN) | 2011-05-26 | — | — | WO | disclosed |