Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | XDH | P47989 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | GFER | P55789 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL147169 | 0.87 | CA1 (0.71) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1949259 | 0.80 | CA1 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL16955375 | 0.78 | CA1 (0.60) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4731536 | 0.78 | CA1 (0.60) | CA1CA2CA12CA7CA9 | |
| SCHEMBL46504 | 0.78 | CA12 (0.91) | CA1CA2CA12CA7CA9 | |
| SCHEMBL7234945 | 0.78 | CA12 (0.60) | CA1CA2CA12CA7CA9 | |
| SCHEMBL70232 | 0.78 | ATM (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9121827 | 0.78 | CA12 (0.60) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6197366 | 0.77 | CA1 (0.44) | CA1CA2CA12CA7CA9 | |
| SCHEMBL475746 | 0.76 | CA1 (0.61) | CA1CA2CA12CA7CA9 |
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 3 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 |
| WO-1980002559-A1 | TRIPEPTIDIC DERIVATIVES | PENTAPHARM AG (CH) | 1980-11-27 | — | — | WO | disclosed |