Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 7/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258496 | 1.00 | CTSC (0.55) | CTSCKCNH2CYP2C9TSHRALDH1A1 | |
| SCHEMBL6755449 | 1.00 | CTSC (0.55) | CTSCKCNH2CYP2C9TSHRALDH1A1 | |
| SCHEMBL5255993 | 0.86 | CTSC (0.41) | CTSCKCNH2CNR2CTSBCTSS | |
| SCHEMBL6840907 | 0.86 | CTSC (0.41) | CTSCKCNH2CNR2CTSBCTSS | |
| SCHEMBL6755447 | 0.86 | CTSC (0.41) | CTSCKCNH2CNR2CTSBCTSS | |
| SCHEMBL6754231 | 0.86 | CTSC (0.41) | CTSCKCNH2CNR2CTSBCTSS | |
| SCHEMBL5255995 | 0.86 | CTSC (0.41) | CTSCKCNH2CNR2CTSBCTSS | |
| SCHEMBL6754269 | 0.84 | CTSC (0.40) | CTSCKCNH2CNR2CTSS | |
| SCHEMBL6755270 | 0.82 | CTSC (0.54) | CTSCKCNH2CYP2C9TSHRALDH1A1 | |
| SCHEMBL6699818 | 0.81 | CTSC (0.48) | CTSCKCNH2CYP2C9TSHRALDH1A1 |
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-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | 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-20040077646-A1 | Indole nitriles | TPH1, IDO1, NAT1 | CTSC 66/4885KCNH2 1680/4885CYP2C9 672/4885 |
“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.