Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 13/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4077793 | 0.82 | PIN1 (0.47) | PIN1ALDH1A1 | |
| SCHEMBL4085906 | 0.78 | PIN1 (0.36) | PIN1ALDH1A1KMT2APOLBMAPT | |
| SCHEMBL1204164 | 0.77 | PIN1 (0.35) | PIN1ALDH1A1KDM4EKMT2A | |
| SCHEMBL4087952 | 0.77 | PIN1 (0.35) | PIN1ALDH1A1MAPT | |
| SCHEMBL22769970 | 0.75 | PIN1 (0.42) | PIN1ALDH1A1POLBMAPTMAPK1 | |
| SCHEMBL14941105 | 0.75 | PIN1 (0.38) | PIN1ALDH1A1MAPT | |
| SCHEMBL14941104 | 0.75 | PIN1 (0.38) | PIN1ALDH1A1MAPT | |
| SCHEMBL4084432 | 0.73 | CTSB (0.33) | PIN1ALDH1A1KMT2APOLBMAPT | |
| SCHEMBL10449200 | 0.73 | PIN1 (0.38) | PIN1ALDH1A1KMT2A | |
| SCHEMBL1288296 | 0.73 | PIN1 (0.38) | PIN1ALDH1A1KMT2A |
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-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | 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 | PIN1 792/4885ALDH1A1 1365/4885KDM4E 1150/4885 |
“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.