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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.52 |
| ▸ | CTSL | P07711 | 4/20 | 0.49 |
| ▸ | CTSS | P25774 | 3/20 | 0.49 |
| ▸ | CTSB | P07858 | 3/20 | 0.49 |
| ▸ | ECE1 | P42892 | 2/20 | 0.49 |
| ▸ | CTSK | P43235 | 2/20 | 0.49 |
| ▸ | MME | P08473 | 1/20 | 0.49 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 2/20 | 0.45 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.45 |
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 SCHEMBL9069992 | 0.98 | CASP3 (0.50) | CASP3CTSLCTSSCTSBECE1 | |
| Isopropylamine SCHEMBL10558459 | 0.86 | CTSL (0.59) | CASP3CTSLCTSSCTSBECE1 | |
| Alanine SCHEMBL5485711 | 0.84 | CTSL (0.58) | CASP3CTSLCTSSCTSBECE1 | |
| SCHEMBL8671882 | 0.84 | CTSL (0.63) | CASP3CTSLCTSSCTSBECE1 | |
| SCHEMBL1287168 | 0.84 | CTSL (0.63) | CASP3CTSLCTSSCTSBECE1 | |
| SCHEMBL220569 | 0.84 | CTSL (0.63) | CASP3CTSLCTSSCTSBECE1 | |
| SCHEMBL2978398 | 0.84 | CTSL (0.63) | CASP3CTSLCTSSCTSBECE1 | |
| Glycine SCHEMBL8365362 | 0.83 | CTSL (0.57) | CASP3CTSLCTSSCTSBECE1 | |
| Valine SCHEMBL5917142 | 0.82 | CTSL (0.56) | CASP3CTSLCTSSCTSBECE1 | |
| Alanine SCHEMBL7446206 | 0.82 | CTSL (0.48) | CASP3CTSLCTSSCTSBECE1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5843905-A | Peptidic phosphinyloxymethyl ketones as interleukin-1β-converting enzyme inhibitors | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-12-01 | — | — | US | disclosed |
| EP-0644197-B1 | Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors | VERTEX PHARMA (US) | 1998-09-09 | — | — | EP | disclosed |
| US-5677283-A | α-heteroaryloxymethyl ketones as interleukin - 1 β converting enzyme inhibitors | SANOFI (FR) | 1997-10-14 | — | — | US | disclosed |
| US-5585357-A | Heteroaryloxymethyl ketones as interleukin-1βconverting enzyme inhibitors | SANOFI WINTHROP INC. (US) | 1996-12-17 | — | — | US | disclosed |
| EP-0644198-A1 | Alpha-heteroaryloxymethyl ketones as interleukin-1beta converting enzyme inhibitors | STERLING WINTHROP INC. (US) | 1995-03-22 | — | — | EP | disclosed |
| EP-0644197-A1 | Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors | STERLING WINTHROP INC. (US) | 1995-03-22 | — | — | EP | disclosed |