Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | GPR4 | P46093 | 8/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3451272 | 0.83 | CTSK (0.70) | CTSKGPR4 | |
| SCHEMBL8344244 | 0.82 | CTSK (0.52) | CTSKHRH3GPR4NUDT1 | |
| SCHEMBL8345749 | 0.82 | CTSK (0.47) | CTSKHRH3GPR4NUDT1 | |
| SCHEMBL8345765 | 0.81 | CTSK (0.45) | CTSKHRH3GPR4 | |
| SCHEMBL8345696 | 0.81 | CTSK (0.45) | CTSKHRH3GPR4 | |
| SCHEMBL8344278 | 0.81 | CTSK (0.67) | CTSKHRH3GPR4NUDT1 | |
| SCHEMBL14528305 | 0.79 | CTSK (0.43) | CTSKHRH3GPR4NUDT1 | |
| SCHEMBL8344106 | 0.78 | CTSK (0.51) | CTSKHRH3GPR4NUDT1 | |
| SCHEMBL8344109 | 0.77 | GPR4 (0.52) | CTSKHRH3GPR4 | |
| SCHEMBL8344408 | 0.76 | CTSK (0.53) | CTSKHRH3GPR4 |
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-1537111-B1 | HETEREOARYL NITRILE DERIVATIVES | NOVARTIS AG (CH) | 2007-05-02 | — | — | EP | disclosed |
| WO-2004020441-A1 | HETEREOARYL NITRILE DERIVATIVES | NOVARTIS AG (CH) | 2004-03-11 | — | — | WO | disclosed |