Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 9/20 | 0.44 |
| ▸ | MMP1 | P03956 | 7/20 | 0.44 |
| ▸ | MMP3 | P08254 | 7/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | KLK7 | P49862 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | CPA1 | P15085 | 1/20 | 0.37 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7205030 | 0.95 | MMP2 (0.48) | MMP2MMP1MMP3CASP1LTA4H | |
| SCHEMBL7204995 | 0.86 | MMP2 (0.50) | MMP2MMP1MMP3LTA4HCTSS | |
| Hydrochloric Acid SCHEMBL7205141 | 0.85 | MMP2 (0.49) | MMP2MMP1MMP3LTA4HCTSS | |
| Aspartame SCHEMBL10765033 | 0.74 | ALDH1A1 (0.57) | — | |
| Trifluoroacetic Acid SCHEMBL7205084 | 0.74 | MMP2 (0.53) | MMP2MMP1MMP3CASP1LTA4H | |
| SCHEMBL7852245 | 0.74 | CTSS (0.52) | MMP2MMP1MMP3CTSSCTSK | |
| Trifluoroacetic Acid SCHEMBL7209972 | 0.72 | CASP1 (0.44) | CASP1CTSSCTSBCTSK | |
| SCHEMBL29615970 | 0.72 | LTA4H (0.61) | MMP2MMP1MMP3LTA4HMME | |
| SCHEMBL7205034 | 0.71 | FNTA (0.37) | MMP2MMP1MMP3KLK7KIF11 | |
| SCHEMBL7212756 | 0.70 | KLK7 (0.36) | MMP2MMP1MMP3KLK7CTSS |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1030831-A4 | PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES | AVENTIS PHARM PROD INC (US) | 2003-01-02 | — | — | EP | disclosed |
| US-6180759-B1 | PREPARING AZACYCLOALKANOYLPSEUDOTETRAPEPTIDES COMPRISING COUPLING A DIPEPTIDE WITH A PSEUDODIPEPTIDE; FOR EXAMPLE, N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-(L)-ALPHA-ASPARTYL-3 -CYCLOHEXYL-(L)-ALANINEAMIDE; USE AS ANTICOAGULANTS | AVENTIS PHARMACEUTICALS PRODUCTS INC. | 2001-01-30 | — | — | US | disclosed |
| EP-1030831-A1 | PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES | Aventis Pharmaceuticals Products Inc. (US) | 2000-08-30 | — | — | EP | disclosed |
| WO-1999019294-A1 | PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES | AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) | 1999-04-22 | — | — | WO | disclosed |