Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25348200 | 0.90 | TSHR (0.52) | ALDH1A1TSHRKDM4ECNR2AOC3 | |
| SCHEMBL28586963 | 0.90 | ALDH1A1 (0.40) | ALDH1A1TSHRKDM4ECNR2AOC3 | |
| SCHEMBL12881360 | 0.90 | SLC6A2 (0.44) | ALDH1A1TSHRKDM4ECNR2AOC3 | |
| SCHEMBL3439186 | 0.88 | PNP (0.43) | ALDH1A1TSHRKDM4ECNR2HTT | |
| SCHEMBL83748 | 0.88 | PNP (0.43) | ALDH1A1TSHRKDM4ECNR2HTT | |
| SCHEMBL29057663 | 0.88 | AOC3 (0.41) | ALDH1A1TSHRKDM4ECNR2AOC3 | |
| SCHEMBL10315714 | 0.88 | KDM4E (0.46) | ALDH1A1TSHRKDM4ECNR2AOC3 | |
| SCHEMBL13657504 | 0.88 | PNP (0.43) | ALDH1A1TSHRKDM4ECNR2HTT | |
| SCHEMBL15688747 | 0.83 | POLB (0.42) | ALDH1A1TSHRKDM4ECNR2AOC3 | |
| SCHEMBL21328902 | 0.83 | POLB (0.42) | ALDH1A1TSHRKDM4ECNR2AOC3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2875021-B1 | BETA AMINO ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | UNIV SAINT LOUIS (US) | 2017-08-23 | — | — | EP | disclosed |
| US-9085606-B2 | Beta amino acid derivatives as integrin antagonists | SAINT LOUIS UNIVERSITY (US) | 2015-07-21 | — | — | US | disclosed |
| US-9085606-B2 | Beta amino acid derivatives as integrin antagonists | SAINT LOUIS UNIVERSITY (US) | 2015-07-21 | — | — | US | disclosed |
| US-20140038910-A1 | Beta Amino Acid Derivatives as Integrin Antagonists | SAINT LOUIS UNIVERSITY (US) | 2014-02-06 | — | — | US | disclosed |
| EP-1572210-A1 | THE R-ISOMER OF BETA AMINO ACID COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES | Pharmacia Corporation (US) | 2005-09-14 | — | — | EP | disclosed |
| US-20050020505-A1 | R-isomer of beta amino acid compounds as integrin receptor antagonists derivatives | PHARMACIA CORPORATION | 2005-01-27 | — | — | US | disclosed |
| WO-2004060376-A1 | THE R-ISOMER OF BETA AMINO ACID COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES | PHARMACIA CORPRATION (US) | 2004-07-22 | — | — | WO | disclosed |
| WO-2004060376-A1 | THE R-ISOMER OF BETA AMINO ACID COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES | PHARMACIA CORPRATION (US) | 2004-07-22 | — | — | 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 (2 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-20140038910-A1 | Beta Amino Acid Derivatives as Integrin Antagonists | ITGB2, ITGAL, ITGB1 | ALDH1A1 919/4885TSHR 1355/4885KDM4E 3525/4885 |
| US-20050020505-A1 | R-isomer of beta amino acid compounds as integrin receptor antagonists derivatives | ITGA5, ITGAL, ITGB5 | ALDH1A1 2118/4885TSHR 684/4885KDM4E 2745/4885 |
“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.