Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | MEN1 | O00255 | 2/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | DDO | Q99489 | 1/20 | 0.71 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL185913 | 0.84 | ALDH1A1 (1.00) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL29954828 | 0.84 | ALDH1A1 (1.00) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL9448329 | 0.82 | ALDH1A1 (0.96) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL30033490 | 0.73 | KDM4E (0.69) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL520949 | 0.73 | KDM4E (0.69) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL4035571 | 0.72 | CYP2C9 (0.79) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL3044926 | 0.71 | KDM4E (0.67) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL9448500 | 0.71 | KDM4E (0.67) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL27750302 | 0.70 | KDM4E (0.72) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL8325878 | 0.70 | ALDH1A1 (0.58) | KDM4EALDH1A1MEN1KMT2ALMNA |
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 5 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 |
| CN-1304406-A | Heterocyclic glycyl beta-alanine derivatives as vitronectin antagonists | SEARLE & CO (US) | 2001-07-18 | — | — | CN | 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 | KDM4E 4376/4885ALDH1A1 388/4885MEN1 1710/4885 |
“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.