Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.49 |
| ▸ | RARG | P13631 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.49 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.49 |
| ▸ | MME | P08473 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 7/20 | 0.48 |
| ▸ | CTSK | P43235 | 6/20 | 0.48 |
| ▸ | CTSL | P07711 | 7/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5422146 | 0.92 | CTSS (0.52) | CTSSCTSKCTSLCTSBACE | |
| SCHEMBL5422983 | 0.82 | FOLH1 (0.45) | CTSSCTSKCTSLCTSBACE | |
| SCHEMBL5428457 | 0.81 | MME (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7544294 | 0.80 | CTSC (0.51) | CTSSCTSKCTSLCTSBACE | |
| SCHEMBL5419957 | 0.79 | MME (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5426573 | 0.78 | CTSS (0.41) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6742386 | 0.77 | CTSS (0.56) | CTSSCTSKCTSLCTSBACE | |
| SCHEMBL5524111 | 0.77 | CTSL (0.71) | CTSSCTSKCTSLCTSB | |
| SCHEMBL5524107 | 0.77 | CTSL (0.71) | CTSSCTSKCTSLCTSB | |
| SCHEMBL5532195 | 0.74 | CTSB (0.73) | CTSSCTSKCTSLCTSB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070049594-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-01 | — | — | US | disclosed |
| EP-1383748-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-01-28 | — | — | EP | disclosed |
| WO-2002051983-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | WO | 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-20070049594-A1 | Novel compounds and compositions as cathepsin inhibitors | CTSS, CTSB, CTSE | CYP1A2 3406/4885CYP3A4 1988/4885CYP2D6 2712/4885 |
“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.