Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 7/20 | 0.38 |
| ▸ | IL1B | P01584 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL6627270 | 0.89 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CASP1 | |
| SCHEMBL6627279 | 0.89 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CASP1 | |
| SCHEMBL6627276 | 0.89 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CASP1 | |
| SCHEMBL6630022 | 0.87 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19CASP1 | |
| SCHEMBL6626939 | 0.87 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19CASP1 | |
| SCHEMBL6628010 | 0.84 | CASP1 (0.39) | CASP1IL1BALDH1A1HTTMME | |
| SCHEMBL6631747 | 0.84 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CASP1 | |
| SCHEMBL6630595 | 0.81 | CASP1 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19CASP1 | |
| SCHEMBL6627961 | 0.81 | CASP1 (0.39) | CASP1IL1BMMEACELCK | |
| SCHEMBL645645 | 0.76 | CASP1 (0.50) | CASP1IL1BALDH1A1TSHRHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1246824-B1 | CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | AVENTIS PHARMA SA (FR) | 2004-06-09 | — | — | EP | claimed |
| US-20030100550-A1 | Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof | AVENTIS PHARMA S.A. (FR) | 2003-05-29 | — | — | US | claimed |
| US-20030100550-A1 | Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof | AVENTIS PHARMA S.A. (FR) | 2003-05-29 | — | — | 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-20030100550-A1 | Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof | HRH4, HRH3, HRH2 | CYP1A2 212/4885CYP3A4 142/4885CYP2D6 63/4885 |
“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.