Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.51 |
| ▸ | CTSK | P43235 | 3/20 | 0.51 |
| ▸ | CTSD | P07339 | 6/20 | 0.49 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.47 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8418970 | 1.00 | CTSB (0.51) | CTSBCTSKCTSDPSMB5PSMB1 | |
| SCHEMBL8418928 | 0.96 | NOS2 (0.50) | CTSBCTSKCTSDPSMB5PSMB1 | |
| SCHEMBL8418925 | 0.96 | NOS2 (0.50) | CTSBCTSKCTSDPSMB5PSMB1 | |
| SCHEMBL7674471 | 0.87 | NOS2 (0.58) | NOS2ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL4415551 | 0.87 | NOS2 (0.58) | NOS2ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL4415553 | 0.87 | NOS2 (0.58) | NOS2ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL7674513 | 0.84 | NOS3 (0.57) | NOS2ALDH1A1 | |
| SCHEMBL7974091 | 0.84 | NOS3 (0.57) | NOS2ALDH1A1 | |
| SCHEMBL7676887 | 0.84 | NOS3 (0.57) | NOS2ALDH1A1 | |
| SCHEMBL7674505 | 0.84 | NOS3 (0.57) | NOS2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0942923-A2 | N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS | Elan Pharmaceuticals, Inc. (US) | 1999-09-22 | — | — | EP | claimed |
| WO-1998022493-A2 | N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS | ELAN PHARMACEUTICALS, INC. (US) | 1998-05-28 | — | — | WO | claimed |