Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 5/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | MAX | P61244 | 1/20 | 0.36 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6261300 | 0.78 | ALDH1A1 (0.60) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL5226675 | 0.77 | ASH1L (0.45) | MTORHDAC1HDAC2CA12CA1 | |
| SCHEMBL29858393 | 0.77 | ASH1L (0.45) | MTORHDAC1HDAC2CA12CA1 | |
| SCHEMBL2293623 | 0.76 | ALDH1A1 (0.63) | MTORHDAC1HDAC2GRM5F2 | |
| SCHEMBL14740718 | 0.76 | IDO1 (0.53) | IDO1KDM4EALDH1A1 | |
| SCHEMBL5147645 | 0.76 | PARP1 (0.52) | ALDH1A1CYP1A2RAB9A | |
| SCHEMBL1928527 | 0.76 | IDO1 (0.53) | HDAC1IDO1RAB9A | |
| SCHEMBL9587293 | 0.74 | MTOR (0.39) | MTORHDAC1HDAC2GRM5IDO1 | |
| SCHEMBL442250 | 0.73 | POLB (0.50) | ALDH1A1RAB9A | |
| SCHEMBL28879963 | 0.72 | MTOR (0.41) | MTORHDAC1HDAC2GRM5CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2163554-B1 | PYRIMIDODIAZEPINONE DERIVATIVE | KYOWA HAKKO KIRIN CO LTD (JP) | 2012-08-01 | — | — | EP | disclosed |
| US-7998954-B2 | Pyrimidodiazepinone derivative | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2011-08-16 | — | — | US | disclosed |
| US-20100190775-A1 | PYRIMIDODIAZEPINONE DERIVATIVE | KYOWA HAKKO KIRIN CO., LTD (JP) | 2010-07-29 | — | — | US | disclosed |
| CN-101679447-A | pyrimidodiazepinone derivative | KYOWA HAKKO KIRIN CO LTD | 2010-03-24 | — | — | CN | disclosed |
| EP-2163554-A1 | PYRIMIDODIAZEPINONE DERIVATIVE | Kyowa Hakko Kirin Co., Ltd. (JP) | 2010-03-17 | — | — | EP | 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-20100190775-A1 | PYRIMIDODIAZEPINONE DERIVATIVE | KCNJ1, KCNJ11, ADRA1D | MTOR 2293/4885HDAC1 120/4885HDAC2 73/4885 |
“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.