Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 13/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL2295524 | 0.95 | PIN1 (0.45) | PIN1LMNAMAPTNPSR1L3MBTL1 | |
| SCHEMBL2300653 | 0.86 | LMNA (0.37) | PIN1LMNAMAPTNPSR1L3MBTL1 | |
| SCHEMBL30965570 | 0.86 | PIN1 (0.36) | PIN1LMNAMAPTNPSR1THRB | |
| SCHEMBL1560939 | 0.82 | PIN1 (0.38) | PIN1LMNAMAPTNPSR1THRB | |
| SCHEMBL1675902 | 0.79 | THRB (0.36) | PIN1LMNAMAPTNPSR1THRB | |
| SCHEMBL2298687 | 0.78 | PIN1 (0.37) | PIN1LMNAMAPTNPSR1CES2 | |
| SCHEMBL2298690 | 0.78 | PIN1 (0.37) | PIN1LMNAMAPTNPSR1CES2 | |
| SCHEMBL1202769 | 0.78 | PIN1 (0.47) | PIN1LMNANPSR1KMT2AALDH1A1 | |
| SCHEMBL30938311 | 0.77 | PIN1 (0.34) | PIN1LMNAMAPTNPSR1THRB | |
| SCHEMBL29259965 | 0.77 | PIN1 (0.34) | PIN1LMNAMAPTNPSR1THRB |
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 | PIN1 292/4885LMNA 2080/4885MAPT 2512/4885 |
“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.