Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 4/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26678642 | 0.71 | PI4KB (0.38) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL10985990 | 0.70 | CDK5 (0.36) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL8797578 | 0.70 | CDK5 (0.37) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL7332982 | 0.70 | CDK5 (0.58) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL8796670 | 0.69 | HDAC1 (0.40) | CDK5CDK5R1CCNA2CDK2CCNA1 | |
| SCHEMBL6881657 | 0.69 | L3MBTL1 (0.65) | L3MBTL1 | |
| SCHEMBL5171437 | 0.69 | HCAR3 (0.46) | CDK5CDK5R1CA1CA2CA9 | |
| SCHEMBL12169124 | 0.68 | HTR2B (0.50) | L3MBTL1 | |
| Water SCHEMBL7146996 | 0.68 | L3MBTL1 (0.63) | L3MBTL1 | |
| Hydrochloric Acid SCHEMBL6736638 | 0.68 | L3MBTL1 (0.63) | L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040127477-A1 | Heterocyclic glycyl beta-alanine derivatives | G. D. SEARLE & CO. (US) | 2004-07-01 | — | — | US | disclosed |
| US-6689754-B1 | PIPERIDINE OR PYRIDINE DERIVATIVES; ALPHA V BETA 3 INTEGRIN ANTAGONISTS | G. D. SEARLE & CO. | 2004-02-10 | — | — | US | disclosed |
| EP-1070060-A1 | HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS | G.D. Searle & Co. (US) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999052896-A1 | HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1999-10-21 | — | — | 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-20040127477-A1 | Heterocyclic glycyl beta-alanine derivatives | ITGB3, ITGAL, ITGB1 | CDK5 2995/4885CDK5R1 2029/4885CCNA2 3811/4885 |
“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.