Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1G | O43497 | 4/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.37 |
| ▸ | CACNA1I | Q9P0X4 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.33 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 2/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5792194 | 0.84 | CXCR3 (0.37) | CACNA1GCACNA1HCACNA1IKMT2APANK3 | |
| SCHEMBL5806357 | 0.78 | FGFR4 (0.37) | CTSKCTSLCTSBCTSSFGFR4 | |
| SCHEMBL5809045 | 0.77 | CTSK (0.45) | KMT2ACTSKCTSLCTSSFGFR4 | |
| SCHEMBL8270011 | 0.77 | ALDH1A1 (0.39) | CACNA1GCACNA1HCACNA1IALDH1A1KMT2A | |
| SCHEMBL5793159 | 0.76 | CTSK (0.36) | CACNA1GCACNA1HCACNA1IALDH1A1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5791860 | 0.74 | CTSS (0.36) | CTSKCTSSPAK4 | |
| SCHEMBL5804565 | 0.73 | CTSK (0.42) | CTSKCTSLCTSBCTSSPANK3 | |
| Trifluoroacetic Acid SCHEMBL5808906 | 0.73 | HRH4 (0.34) | CTSKCTSSFGFR4PAK4 | |
| SCHEMBL8268861 | 0.69 | CTSK (0.42) | CTSKCTSLCTSBCTSSFGFR4 | |
| Trifluoroacetic Acid SCHEMBL5791245 | 0.68 | CTSS (0.41) | CTSKCTSLCTSS |
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 1 patent. 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 |