Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3995181 | 0.87 | ATM (0.44) | CTSSCTSK | |
| SCHEMBL14982900 | 0.86 | CTSS (0.48) | CTSSCTSKCA2PSENENCTSD | |
| SCHEMBL572076 | 0.86 | CTSS (0.48) | CTSSCTSKCA2PSENENCTSD | |
| SCHEMBL572951 | 0.81 | CTSS (0.53) | CTSSCTSK | |
| SCHEMBL10057465 | 0.78 | CTSS (0.45) | CTSSCTSKCA2PSENENCTSD | |
| SCHEMBL572131 | 0.78 | CTSS (0.45) | CTSSCTSKCA2PSENENCTSD | |
| SCHEMBL4893696 | 0.77 | CTSS (0.50) | CTSSCTSK | |
| SCHEMBL13905757 | 0.76 | ATM (0.43) | CTSSCTSKHDAC3HDAC4HDAC1 | |
| SCHEMBL12394647 | 0.74 | CTSS (0.44) | CTSSCTSK | |
| SCHEMBL7094300 | 0.73 | CTSS (0.53) | CTSSCTSK |
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-2600888-A2 | NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF | Cadila Pharmaceuticals Ltd. (IN) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012017391-A2 | NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF | CADILA PHARMACEUTICALS LIMITED (IN) | 2012-02-09 | — | — | WO | disclosed |