Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 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 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 5/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27546313 | 0.94 | EPHX1 (0.46) | CASP1CYP3A4CYP2C9CYP2C19EPHX1 | |
| Trifluoroacetic Acid SCHEMBL7206393 | 0.89 | IDO1 (0.46) | CASP1CYP3A4CYP2C9CYP2C19EPHX1 | |
| SCHEMBL6479809 | 0.81 | IDO1 (0.52) | CYP3A4CYP2C9CYP2C19EPHX1CTSL | |
| Hydrochloric Acid SCHEMBL3825774 | 0.80 | IDO1 (0.51) | CYP3A4CYP2C9CYP2C19EPHX1CTSL | |
| Hydrochloric Acid SCHEMBL7297833 | 0.80 | IDO1 (0.51) | CYP3A4CYP2C9CYP2C19EPHX1CTSL | |
| SCHEMBL6473457 | 0.79 | IDO1 (0.53) | CYP3A4CYP2C9CYP2C19EPHX1CTSL | |
| Trifluoroacetic Acid SCHEMBL28278079 | 0.79 | ALPI (0.54) | IDO1ALDH1A1KMT2A | |
| Trifluoroacetic Acid SCHEMBL28255326 | 0.79 | LTA4H (0.43) | CTSLIDO1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL3823025 | 0.78 | IDO1 (0.52) | CYP3A4CYP2C9CYP2C19EPHX1CTSL | |
| Trifluoroacetic Acid SCHEMBL31372433 | 0.78 | SLC15A1 (0.46) | CYP2C9CYP2C19IDO1ALDH1A1MEN1 |
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 |