Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.58 |
| ▸ | CPB1 | P15086 | 2/20 | 0.53 |
| ▸ | CTSK | P43235 | 11/20 | 0.52 |
| ▸ | CTSS | P25774 | 8/20 | 0.52 |
| ▸ | CTSL | P07711 | 7/20 | 0.52 |
| ▸ | CTSB | P07858 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8297382 | 1.00 | CASP3 (0.58) | CASP3CPB1CTSKCTSSCTSL | |
| SCHEMBL8298733 | 0.83 | CASP3 (0.65) | CASP3CPB1CTSKCTSSCTSL | |
| SCHEMBL5365475 | 0.83 | CASP3 (0.65) | CASP3CPB1CTSKCTSSCTSL | |
| SCHEMBL6384125 | 0.83 | CASP3 (0.61) | CASP3CPB1CTSKCTSSCTSL | |
| SCHEMBL6381237 | 0.83 | CASP3 (0.61) | CASP3CPB1CTSKCTSSCTSL | |
| SCHEMBL6382207 | 0.83 | CASP3 (0.61) | CASP3CPB1CTSKCTSSCTSL | |
| SCHEMBL6382690 | 0.83 | CASP3 (0.61) | CASP3CPB1CTSKCTSSCTSL | |
| SCHEMBL6382198 | 0.83 | CASP3 (0.61) | CASP3CPB1CTSKCTSSCTSL | |
| SCHEMBL6382203 | 0.83 | CASP3 (0.61) | CASP3CPB1CTSKCTSSCTSL | |
| SCHEMBL6386122 | 0.83 | CASP3 (0.61) | CASP3CPB1CTSKCTSSCTSL |
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 |
|---|---|---|---|---|---|---|---|
| US-7300934-B2 | Benzamide nitriles | ROCHE PALO ALTO LLC (US) | 2007-11-27 | — | — | US | disclosed |
| US-20040248949-A1 | Benzamide nitriles | ROCHE PALO ALTO LLC | 2004-12-09 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040248949-A1 | Benzamide nitriles | CTSK, CTSS, CMA1 | CASP3 243/4885CPB1 486/4885CTSK 1/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.