Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Aspartic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 6/20 | 0.45 |
| ▸ | CASP6 | P55212 | 3/20 | 0.45 |
| ▸ | CASP8 | Q14790 | 3/20 | 0.45 |
| ▸ | ECE1 | P42892 | 2/20 | 0.42 |
| ▸ | MME | P08473 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Aspartic Acid SCHEMBL6801361 | 0.98 | CASP1 (0.44) | CASP1CASP3CASP6CASP8ECE1 | |
| Aspartic Acid SCHEMBL6800781 | 0.91 | CASP3 (0.48) | CASP1CASP3CASP6CASP8MEN1 | |
| Aspartic Acid SCHEMBL6801790 | 0.90 | CASP3 (0.46) | CASP3CASP6CASP8MEN1ALDH1A1 | |
| Alanine SCHEMBL7445326 | 0.85 | CTSL (0.41) | CASP1CASP3CASP6CASP8ECE1 | |
| SCHEMBL6281724 | 0.82 | CASP1 (0.59) | CASP1CASP3CASP6CASP8ECE1 | |
| SCHEMBL6801541 | 0.82 | CASP1 (0.59) | CASP1CASP3CASP6CASP8ECE1 | |
| Aspartic Acid SCHEMBL7309528 | 0.82 | CASP3 (0.52) | CASP3ECE1MMECTSLCTSB | |
| Aspartic Acid SCHEMBL7370755 | 0.81 | TXNRD1 (0.43) | CASP3CASP6CASP8MEN1ALDH1A1 | |
| Aspartic Acid SCHEMBL7370757 | 0.81 | TXNRD1 (0.43) | CASP3CASP6CASP8MEN1ALDH1A1 | |
| Aspartic Acid SCHEMBL6801963 | 0.80 | CASP3 (0.46) | CASP3CASP6CASP8MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040009923-A1 | Peptide analogs as irreversible interleukin-1beta protease inhibitors | DOLLE ROLAND E (US) | 2004-01-15 | — | — | US | claimed |
| US-5985838-A | TREATING INFECTIOUS DISEASE, RESPIRATORY DISEASE, INFLAMMATORY CONDITIONS, IMMUNE-BASED DISEASE, AUTO-IMMUNE DISEASE, BONE DISEASE, AND TUMORS | VERTEX PHARMACEUTICALS, INC. (US) | 1999-11-16 | — | — | US | claimed |
| EP-0623592-A1 | Peptide analogs as irreversible interleukin-1beta protease inhibitors | STERLING WINTHROP INC. (US) | 1994-11-09 | — | — | EP | claimed |
| US-20040009923-A1 | Peptide analogs as irreversible interleukin-1beta protease inhibitors | DOLLE ROLAND E (US) | 2004-01-15 | — | — | US | disclosed |
| US-6576614-B1 | Administering methyl ketones or closed hemiketal derivatives of aspartic acid | VERTEX PHARMACEUTICALS INCORPORATED | 2003-06-10 | — | — | US | disclosed |
| EP-0623592-B1 | Peptide analogs as irreversible interleukin-1beta protease inhibitors | VERTEX PHARMA (US) | 2001-06-27 | — | — | EP | disclosed |
| US-5985838-A | TREATING INFECTIOUS DISEASE, RESPIRATORY DISEASE, INFLAMMATORY CONDITIONS, IMMUNE-BASED DISEASE, AUTO-IMMUNE DISEASE, BONE DISEASE, AND TUMORS | VERTEX PHARMACEUTICALS, INC. (US) | 1999-11-16 | — | — | US | disclosed |
| EP-0623592-A1 | Peptide analogs as irreversible interleukin-1beta protease inhibitors | STERLING WINTHROP INC. (US) | 1994-11-09 | — | — | EP | 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-20040009923-A1 | Peptide analogs as irreversible interleukin-1beta protease inhibitors | IL1B, IL1A, IL1RN | CASP1 6/4885CASP3 247/4885CASP6 153/4885 |
“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.