Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.62 |
| ▸ | CTSK | P43235 | 15/20 | 0.62 |
| ▸ | CTSS | P25774 | 6/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.53 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18535 | 0.91 | CTSS (0.63) | KMOCTSKCTSSKCNH2IRAK4 | |
| SCHEMBL4444308 | 0.77 | CTSK (1.00) | CTSKCTSSKCNH2CTSLCTSB | |
| SCHEMBL4900014 | 0.75 | KMO (0.72) | KMO | |
| Trifluoroacetic Acid SCHEMBL3881048 | 0.75 | CTSK (0.64) | CTSKCTSSKCNH2CTSLCTSB | |
| Trifluoroacetic Acid SCHEMBL3877719 | 0.75 | CTSK (0.57) | CTSKCTSSKCNH2CTSLCTSB | |
| SCHEMBL18157 | 0.75 | KMO (0.55) | KMOCTSKCTSSKCNH2IRAK4 | |
| SCHEMBL3881727 | 0.75 | CTSK (0.66) | CTSKCTSSKCNH2CTSLCTSB | |
| SCHEMBL4901547 | 0.74 | KMO (0.70) | KMO | |
| Trifluoroacetic Acid SCHEMBL3883173 | 0.73 | CTSK (0.58) | CTSKCTSSKCNH2CTSLCTSB | |
| Trifluoroacetic Acid SCHEMBL4448329 | 0.73 | CTSK (0.94) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101268058-B | 4-phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives | MSD OSS BV | 2013-02-27 | — | — | CN | disclosed |