Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.49 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR1D | P28221 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15672061 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19MAP3K7TAB1 | |
| Hydrochloric Acid SCHEMBL5426189 | 0.98 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19MAP3K7TAB1 | |
| SCHEMBL14921361 | 0.95 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19MAP3K7TAB1 | |
| SCHEMBL21564438 | 0.79 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19KEAP1HTR2A | |
| SCHEMBL17009264 | 0.79 | CYP2C9 (0.47) | CYP1A2CYP2C9CYP2C19KEAP1NFE2L2 | |
| SCHEMBL16277451 | 0.79 | CYP2C9 (0.47) | CYP1A2CYP2C9CYP2C19KEAP1NFE2L2 | |
| SCHEMBL16277278 | 0.79 | CYP2C9 (0.47) | CYP1A2CYP2C9CYP2C19KEAP1NFE2L2 | |
| Hydrochloric Acid SCHEMBL27677247 | 0.79 | ACHE (0.50) | CYP1A2CYP2C9CYP2C19HTR1AHTR1D | |
| SCHEMBL29946845 | 0.78 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19KEAP1HTR2A | |
| Hydrochloric Acid SCHEMBL6789716 | 0.78 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19KEAP1HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014069626-A1 | METHOD FOR PRODUCING PYRIMIDODIAZEPINONE COMPOUND | 協和発酵キリン株式会社 (JP) | 2014-05-08 | — | — | WO | disclosed |
| US-20070065898-A1 | Fluorescence polarization assays for binding of caspase inhibitors and probes therefor | WYETH (US) | 2007-03-22 | — | — | US | disclosed |
| US-20070065898-A1 | Fluorescence polarization assays for binding of caspase inhibitors and probes therefor | WYETH (US) | 2007-03-22 | — | — | 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-20070065898-A1 | Fluorescence polarization assays for binding of caspase inhibitors and probes therefor | APAF1, CASP1, CASP14 | CYP1A2 3626/4885CYP2C9 3913/4885CYP2C19 3044/4885 |
“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.