Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 4/20 | 0.36 |
| ▸ | CTSS | P25774 | 4/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 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 SCHEMBL5793926 | 0.97 | CTSK (0.35) | MAPTCTSKCTSSCTSLCTSB | |
| SCHEMBL8270023 | 0.93 | TSHR (0.36) | MAPTCTSKCTSSCTSLCTSB | |
| SCHEMBL8270020 | 0.90 | CTSK (0.35) | CTSKCTSSCTSLCTSBTSHR | |
| Trifluoroacetic Acid SCHEMBL5791565 | 0.87 | CTSK (0.35) | CTSKCTSSCTSLCTSBFGFR4 | |
| SCHEMBL5791285 | 0.87 | CTSK (0.37) | MAPTCTSKCTSSCTSLCTSB | |
| SCHEMBL5790953 | 0.85 | CTSK (0.38) | CTSKCTSSCTSLCTSBFGFR4 | |
| Trifluoroacetic Acid SCHEMBL5791900 | 0.85 | CTSK (0.44) | CTSKCTSSCTSLCTSBFGFR4 | |
| Trifluoroacetic Acid SCHEMBL5791713 | 0.85 | CTSK (0.37) | CTSKCTSSCTSLCTSBFGFR4 | |
| SCHEMBL5792625 | 0.84 | CTSK (0.37) | CTSKCTSSCTSLCTSBFGFR4 | |
| SCHEMBL5791656 | 0.83 | CTSK (0.38) | CTSKCTSSCTSLCTSBFGFR4 |
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 |