Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17519972 | 0.79 | HCAR3 (0.51) | GAAMAPTALDH1A1KDM4EXDH | |
| SCHEMBL23715349 | 0.77 | TSHR (0.42) | MAPTALDH1A1KDM4EARMEN1 | |
| SCHEMBL1110736 | 0.76 | CA1 (0.45) | GAAMAPTALDH1A1KDM4EXDH | |
| SCHEMBL2656615 | 0.75 | VNN1 (0.39) | GAAAR | |
| SCHEMBL18724341 | 0.73 | S1PR3 (0.44) | AR | |
| SCHEMBL12310789 | 0.72 | ALDH1A1 (0.46) | GAAMAPTALDH1A1KDM4EXDH | |
| SCHEMBL8651599 | 0.72 | ALDH1A1 (0.46) | GAAMAPTALDH1A1KDM4EXDH | |
| SCHEMBL14116618 | 0.71 | TRPV4 (0.48) | AR | |
| SCHEMBL14116669 | 0.71 | TRPV4 (0.48) | AR | |
| SCHEMBL12326405 | 0.71 | ALDH1A1 (0.44) | GAAMAPTALDH1A1KDM4EXDH |
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-2205596-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009042694-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |