Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL15801416 | 0.87 | TRPA1 (0.52) | TRPA1SMN1; SMN2POLBPARP1ALDH1A1 | |
| SCHEMBL12877789 | 0.85 | SMN1; SMN2 (0.54) | TRPA1SMN1; SMN2POLBPARP1ALDH1A1 | |
| SCHEMBL15519373 | 0.83 | CNR1 (0.41) | TRPA1CYP17A1CYP1A2SMN1; SMN2CNR1 | |
| SCHEMBL13833767 | 0.82 | TRPA1 (0.49) | TRPA1CYP1A2SMN1; SMN2POLBPARP1 | |
| SCHEMBL30552929 | 0.81 | TRPA1 (0.53) | TRPA1SMN1; SMN2POLBPARP1ALDH1A1 | |
| SCHEMBL30552846 | 0.81 | TRPA1 (0.53) | TRPA1SMN1; SMN2POLBPARP1ALDH1A1 | |
| SCHEMBL30552837 | 0.81 | TRPA1 (0.53) | TRPA1SMN1; SMN2POLBPARP1ALDH1A1 | |
| SCHEMBL13833768 | 0.80 | TRPA1 (0.50) | TRPA1SMN1; SMN2POLBPARP1CNR1 | |
| SCHEMBL15801421 | 0.78 | TRPA1 (0.51) | TRPA1SMN1; SMN2POLBPARP1ALDH1A1 | |
| SCHEMBL30552896 | 0.78 | TRPA1 (0.48) | TRPA1CYP1A2SMN1; SMN2POLBPARP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2708540-B1 | PYRIMIDO-DIAZEPINONE COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-07-25 | — | — | EP | disclosed |
| US-9453021-B2 | Pyrimidodiazepinone compound | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2016-09-27 | — | — | US | disclosed |
| US-9453021-B2 | Pyrimidodiazepinone compound | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2016-09-27 | — | — | US | disclosed |
| US-20140171422-A1 | PYRIMIDODIAZEPINONE COMPOUND | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2014-06-19 | — | — | US | disclosed |
| US-20140171422-A1 | PYRIMIDODIAZEPINONE COMPOUND | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2014-06-19 | — | — | US | disclosed |
| WO-2012153796-A1 | PYRIMIDO-DIAZEPINONE COMPOUND | 協和発酵キリン株式会社 (JP) | 2012-11-15 | — | — | WO | 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-20140171422-A1 | PYRIMIDODIAZEPINONE COMPOUND | REN, AGTR1, KCNJ1 | TRPA1 2194/4885CYP17A1 1674/4885CYP1A2 772/4885 |
“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.