Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | NAAA | Q02083 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10072546 | 0.79 | CYP2C19 (0.38) | CYP2C19L3MBTL1EPHX1NAAACA12 | |
| SCHEMBL5361582 | 0.73 | SERPINE1 (0.32) | CYP2C19L3MBTL1 | |
| SCHEMBL5366221 | 0.69 | L3MBTL1 (0.31) | L3MBTL1 | |
| SCHEMBL16086282 | 0.69 | CYP2C19 (0.48) | CYP2C19EPHX1NAAACA12CA1 | |
| SCHEMBL10072549 | 0.68 | EPHX1 (0.36) | CYP2C19L3MBTL1EPHX1 | |
| SCHEMBL31512251 | 0.68 | EPHX1 (0.44) | CYP2C19EPHX1 | |
| SCHEMBL9485096 | 0.67 | CYP2C19 (0.52) | CYP2C19EPHX1NAAACA12CA1 | |
| Tetrahydrofuran SCHEMBL28708916 | 0.67 | L3MBTL1 (0.44) | CYP2C19L3MBTL1EPHX1NAAACA12 | |
| SCHEMBL28778803 | 0.67 | CYP2C19 (0.52) | CYP2C19EPHX1NAAACA12CA1 | |
| SCHEMBL2706509 | 0.67 | CYP2C19 (0.43) | CYP2C19EPHX1NAAACA12CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012025701-A1 | ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2012-03-01 | — | — | WO | disclosed |