Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.30 |
| ▸ | F3 | P13726 | 1/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | SGK1 | O00141 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
| ▸ | SRC | P12931 | 1/20 | 0.30 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5792598 | 0.91 | CTSK (0.48) | CTSKLNPEPCTSSKDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5791564 | 0.89 | CTSK (0.35) | CTSKLNPEP | |
| Trifluoroacetic Acid SCHEMBL5794082 | 0.88 | CTSK (0.36) | CTSKCTSS | |
| Trifluoroacetic Acid SCHEMBL5791710 | 0.87 | CTSK (0.38) | CTSKCTSS | |
| SCHEMBL5792640 | 0.82 | CTSK (0.36) | CTSKHCRTR1HCRTR2 | |
| SCHEMBL5804672 | 0.82 | CTSK (0.36) | CTSKHCRTR1HCRTR2 | |
| Trifluoroacetic Acid SCHEMBL5792731 | 0.78 | CTSK (0.35) | CTSKLNPEPCTSS | |
| Trifluoroacetic Acid SCHEMBL5791179 | 0.76 | CTSK (0.42) | CTSKMLYCDCTSSKDM4EALDH1A1 | |
| SCHEMBL5792575 | 0.76 | CTSK (0.44) | CTSKCTSSHCRTR1HCRTR2CTSL | |
| SCHEMBL5791181 | 0.76 | CTSK (0.40) | CTSKMLYCDCTSSKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | claimed |
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |