Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 3/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.48 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12427455 | 0.87 | HDAC4 (0.55) | HDAC4HDAC6USP30EPHX1KMT2A | |
| SCHEMBL12426676 | 0.86 | HDAC4 (0.53) | HDAC4USP30EPHX1KMT2APARP1 | |
| SCHEMBL3546076 | 0.84 | HDAC4 (0.52) | HDAC4HDAC6USP30EPHX1KMT2A | |
| SCHEMBL12426675 | 0.84 | HDAC4 (0.52) | HDAC4USP30EPHX1KMT2APARP1 | |
| SCHEMBL13575561 | 0.83 | TAS1R3 (0.55) | HDAC4HDAC6TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL12426680 | 0.83 | HDAC4 (0.61) | HDAC4HDAC6USP30EPHX1KMT2A | |
| SCHEMBL13158349 | 0.83 | ALDH1A1 (0.60) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL20553260 | 0.83 | HDAC4 (0.54) | HDAC4HDAC6TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL12426369 | 0.82 | NPSR1 (0.50) | HDAC4USP30EPHX1ALDH1A1NPC1 | |
| SCHEMBL18050965 | 0.81 | USP30 (0.58) | HDAC4USP30EPHX1KMT2APARP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8003785-B2 | Halo-substituted pyrimidodiazepines | TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) | 2011-08-23 | — | — | US | disclosed |
| US-20090318408-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-24 | — | — | US | disclosed |
| WO-2009153197-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | 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-20090318408-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES | PLK1, CCNI, CDK1 | HDAC4 798/4885HDAC6 147/4885TAS1R3 4824/4885 |
“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.