Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6325306 | 0.77 | CYP2A6 (0.47) | PARP1ALDH1A1KMT2AMAOB | |
| SCHEMBL16639669 | 0.74 | IDO1 (0.42) | PARP1ALDH1A1CYP3A4MAOB | |
| SCHEMBL2803387 | 0.72 | POLB (0.45) | SLC6A4ALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL9889127 | 0.72 | TAAR1 (0.45) | PARP1TAAR1SLC6A2SLC6A4ESR1 | |
| SCHEMBL15298776 | 0.72 | AGXT (0.48) | PARP1TAAR1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9886035 | 0.72 | DPP4 (0.40) | TAAR1SLC6A2ESR1ESR2ALDH1A1 | |
| SCHEMBL5107614 | 0.72 | ESR1 (0.58) | TAAR1SLC6A2ESR1ESR2MEN1 | |
| SCHEMBL932721 | 0.72 | PARP1 (0.39) | PARP1ALDH1A1 | |
| SCHEMBL16553364 | 0.72 | CTSC (0.41) | TAAR1SLC6A2SLC6A4ESR1ESR2 | |
| SCHEMBL6753562 | 0.71 | SMN1; SMN2 (0.36) | PARP1ALDH1A1CYP1A2CYP3A4CYP2C9 |
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 | PARP1 993/4885TAAR1 67/4885SLC6A2 388/4885 |
“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.