Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 20/20 | 0.58 |
| ▸ | CTSS | P25774 | 12/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.57 |
| ▸ | CTSL | P07711 | 3/20 | 0.57 |
| ▸ | CTSB | P07858 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4446352 | 0.99 | CTSK (0.57) | CTSKCTSSKCNH2CTSLCTSB | |
| SCHEMBL5548728 | 0.83 | CTSK (0.61) | CTSKCTSSKCNH2CTSLCTSB | |
| Hydrochloric Acid SCHEMBL4450284 | 0.83 | CTSK (0.80) | CTSKCTSSKCNH2CTSLCTSB | |
| Hydrochloric Acid SCHEMBL4446351 | 0.82 | CTSK (0.60) | CTSKCTSSKCNH2CTSLCTSB | |
| Trifluoroacetic Acid SCHEMBL4447995 | 0.81 | CTSK (0.54) | CTSKCTSSKCNH2CTSLCTSB | |
| SCHEMBL4445908 | 0.81 | CTSK (0.66) | CTSKCTSSKCNH2CTSLCTSB | |
| Trifluoroacetic Acid SCHEMBL4446320 | 0.80 | CTSK (0.69) | CTSKCTSSKCNH2CTSLCTSB | |
| SCHEMBL4447998 | 0.80 | CTSK (0.52) | CTSKCTSSKCNH2CTSLCTSB | |
| SCHEMBL4442745 | 0.77 | CTSK (0.74) | CTSKCTSSKCNH2CTSLCTSB | |
| SCHEMBL4448049 | 0.76 | CTSK (0.62) | CTSKCTSSKCNH2CTSLCTSB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1758870-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. Organon (NL) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005121106-A1 | 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2005-12-22 | — | — | WO | disclosed |