Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.32 |
| ▸ | HRH2 | P25021 | 3/20 | 0.32 |
| ▸ | HRH1 | P35367 | 3/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 2/20 | 0.31 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 SCHEMBL5791713 | 0.91 | CTSK (0.37) | CTSKCTSSCTSLCTSBHRH4 | |
| Trifluoroacetic Acid SCHEMBL5794085 | 0.90 | CTSS (0.36) | CTSKCTSSCTSLCTSBHRH4 | |
| Trifluoroacetic Acid SCHEMBL5791179 | 0.88 | CTSK (0.42) | CTSKCTSSCTSLALDH1A1KDM4E | |
| SCHEMBL5792642 | 0.88 | CTSK (0.36) | CTSKSMN1; SMN2CTSSCTSLCTSB | |
| Trifluoroacetic Acid SCHEMBL5792007 | 0.87 | MAPT (0.37) | CTSKCTSSCTSLCTSBHRH4 | |
| SCHEMBL5791557 | 0.87 | CTSK (0.36) | CTSKCTSSCTSLCTSBDRD2 | |
| Trifluoroacetic Acid SCHEMBL5793926 | 0.86 | CTSK (0.35) | CTSKCTSSCTSLCTSBHRH4 | |
| SCHEMBL5794916 | 0.86 | CTSK (0.35) | CTSKCTSSCTSLCTSBFGFR4 | |
| Trifluoroacetic Acid SCHEMBL5792604 | 0.85 | CTSK (0.43) | CTSKSMN1; SMN2CTSSCTSLCTSB | |
| SCHEMBL8270684 | 0.85 | CTSK (0.35) | CTSKCTSSCTSLCTSBHRH4 |
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 |