Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | CTSL | P07711 | 4/20 | 0.64 |
| ▸ | CTSB | P07858 | 3/20 | 0.64 |
| ▸ | CTSS | P25774 | 2/20 | 0.64 |
| ▸ | CTSK | P43235 | 2/20 | 0.64 |
| ▸ | TACR1 | P25103 | 2/20 | 0.62 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.60 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL1709151 | 0.89 | ALDH1A1 (0.64) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL1701751 | 0.89 | ALDH1A1 (0.64) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL8699187 | 0.88 | TACR1 (0.65) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL8785257 | 0.88 | ALDH1A1 (0.74) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL7285798 | 0.88 | ALDH1A1 (0.74) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL8785267 | 0.88 | ALDH1A1 (0.74) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL7492293 | 0.87 | ALDH1A1 (0.65) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL7492287 | 0.87 | ALDH1A1 (0.65) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL7499936 | 0.87 | ALDH1A1 (0.65) | ALDH1A1ALOX15CTSLCTSBCTSS | |
| SCHEMBL29550348 | 0.87 | TACR1 (0.64) | ALDH1A1ALOX15CTSLCTSBCTSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5736520-A | INHIBITING CALPAIN BY ADMINISTERING A DIPEPTIDE OF THE FORMULA BENZYLCARBONYLOXYVAL-NH-CH(-R2)-CHO WHERE R2 IS THE SIDE CHAIN OF PHE; ANTICARCINOGENIC,-ARTHRITIC AND CARDIOTONIC AGENTS; COAGULANTS; STROKE | MERRELL PHARMACEUTICALS INC. (US) | 1998-04-07 | — | — | US | disclosed |
| EP-0363284-A2 | Use of peptidase inhibitors for the preparation of medicaments useful for the treatment of strokes | MERRELL PHARMACEUTICALS INC. (US) | 1990-04-11 | — | — | EP | disclosed |