Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.49 |
| ▸ | CCR2 | P41597 | 4/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6750650 | 0.88 | MCL1 (0.60) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL6750530 | 0.87 | KDM4E (0.56) | ALDH1A1CYP1A2MCL1CNR2MTNR1A | |
| SCHEMBL6754206 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL6752406 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL29750342 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL7894118 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL14565663 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL6752507 | 0.75 | ALDH1A1 (0.64) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL6753136 | 0.74 | CCR2 (0.50) | ALDH1A1CYP1A2POLBMCL1CCR2 | |
| SCHEMBL6755281 | 0.74 | CCR9 (0.49) | MCL1CCR2 |
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 | ALDH1A1 535/4885CYP1A2 183/4885POLB 3574/4885 |
“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.