Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.51 |
| ▸ | CCR5 | P51681 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 6/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4884152 | 0.92 | KCNA3 (0.53) | KCNA3CCR5CTSKDRD2DRD3 | |
| SCHEMBL3469395 | 0.90 | KCNA3 (0.51) | KCNA3CCR5CTSKDRD2DRD3 | |
| SCHEMBL3460701 | 0.84 | KCNA3 (0.55) | KCNA3CCR5CTSKDRD2DRD3 | |
| SCHEMBL4419007 | 0.84 | KCNA3 (0.55) | KCNA3CCR5CTSKDRD2DRD3 | |
| SCHEMBL23421609 | 0.84 | KCNA3 (0.55) | KCNA3CCR5CTSKDRD2DRD3 | |
| SCHEMBL6384266 | 0.83 | KCNA3 (0.54) | KCNA3CCR5CTSKDRD2DRD3 | |
| SCHEMBL9092293 | 0.83 | KCNA3 (0.54) | KCNA3CCR5CTSKDRD2DRD3 | |
| SCHEMBL24690239 | 0.83 | KCNA3 (0.54) | KCNA3CCR5CTSKDRD2DRD3 | |
| SCHEMBL621767 | 0.82 | KCNA3 (0.51) | KCNA3CCR5CTSKDRD2DRD3 | |
| SCHEMBL30893341 | 0.82 | KCNA3 (0.53) | KCNA3CCR5CTSKDRD2DRD3 |
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 2 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 |
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 | KCNA3 2185/4885CCR5 3388/4885CTSK 2911/4885 |
“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.