Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28096911 | 0.71 | CYP2D6 (0.39) | CYP2D6CYP2C19CTSSCTSKLMNA | |
| SCHEMBL967611 | 0.71 | — | — | |
| SCHEMBL15819962 | 0.70 | CA12 (0.42) | CTSSCTSKLMNAKDM4EGAA | |
| SCHEMBL14141779 | 0.70 | CA12 (0.42) | CTSSCTSKLMNAKDM4EGAA | |
| SCHEMBL15833881 | 0.69 | S1PR1 (0.38) | CTSSCTSKLMNAKDM4EGAA | |
| SCHEMBL5635103 | 0.69 | CTSS (0.34) | CTSSCTSKKDM4EGAA | |
| SCHEMBL14141746 | 0.68 | CTSS (0.41) | CYP2D6CYP2C19CTSSCTSKLMNA | |
| SCHEMBL14141780 | 0.68 | CTSS (0.41) | CYP2D6CYP2C19CTSSCTSKLMNA | |
| SCHEMBL14141747 | 0.68 | CTSS (0.41) | CYP2D6CYP2C19CTSSCTSKLMNA | |
| Trifluoroacetic Acid SCHEMBL15821109 | 0.68 | S1PR1 (0.46) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2532667-A1 | Deazapurines useful as inhibitors of janus kinases | Vertex Pharmaceuticals Incorporated (US) | 2012-12-12 | — | — | EP | disclosed |
| EP-1931674-A2 | DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES | Vertex Pharmceuticals Incorporated (US) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007041130-A2 | DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-04-12 | — | — | WO | disclosed |