Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 8/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4080840 | 0.93 | ALDH1A1 (0.33) | ALDH1A1KMT2AMEN1GAAMAPT | |
| SCHEMBL29136264 | 0.89 | PIN1 (0.34) | MAPTSMN1; SMN2PIN1 | |
| SCHEMBL29136265 | 0.89 | PIN1 (0.34) | MAPTSMN1; SMN2PIN1 | |
| SCHEMBL4085806 | 0.89 | KMT2A (0.38) | ALDH1A1KMT2AMEN1GAAMAPT | |
| SCHEMBL4079811 | 0.83 | ALDH1A1 (0.39) | ALDH1A1KMT2AMEN1GAAMAPT | |
| SCHEMBL10024797 | 0.83 | ALDH1A1 (0.35) | ALDH1A1KMT2AMEN1GAAMAPT | |
| SCHEMBL1204164 | 0.83 | PIN1 (0.35) | ALDH1A1KMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL3674116 | 0.82 | PDE4B (0.33) | ALDH1A1MAPTPIN1CTSBVCAM1 | |
| SCHEMBL4079791 | 0.82 | MAPT (0.37) | ALDH1A1KMT2AMEN1GAAMAPT | |
| SCHEMBL4085906 | 0.82 | PIN1 (0.36) | ALDH1A1KMT2AMEN1GAAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2139892-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-01-06 | — | — | EP | disclosed |
| US-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| WO-2008113711-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-25 | — | — | WO | disclosed |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-25 | — | — | 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-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | PLK1, CCNI, CDK1 | ALDH1A1 1365/4885KMT2A 452/4885MEN1 1136/4885 |
“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.