Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 7/20 | 0.59 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5360425 | 0.87 | CTSS (0.48) | CTSSOPRM1CYP2D6 | |
| SCHEMBL5360375 | 0.85 | CTSS (0.46) | CTSSOPRM1 | |
| SCHEMBL6972946 | 0.84 | CTSS (0.59) | CTSSCHRM4OPRM1CTSBSMN1; SMN2 | |
| SCHEMBL6972505 | 0.84 | CTSS (0.46) | CTSSOPRM1CTSBCTSK | |
| SCHEMBL6965440 | 0.83 | CTSS (0.54) | CTSSOPRM1SMN1; SMN2 | |
| SCHEMBL5357125 | 0.82 | CTSS (0.44) | CTSSOPRM1CTSBCTSK | |
| SCHEMBL5364807 | 0.82 | CTSS (0.47) | CTSSOPRM1TSHRCYP3A4CYP2D6 | |
| SCHEMBL5364812 | 0.82 | CTSS (0.68) | CTSS | |
| SCHEMBL5360926 | 0.81 | CTSS (0.43) | CTSS | |
| SCHEMBL5375313 | 0.80 | CTSS (0.43) | CTSSTSHRCTSBCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1218372-B1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2003-07-02 | — | — | EP | disclosed |