Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3872035 | 0.93 | CFTR (0.50) | CFTRSOS1ALDH1A1L3MBTL1CA12 | |
| SCHEMBL11922634 | 0.84 | CFTR (0.49) | CFTRSOS1ALDH1A1L3MBTL1CA12 | |
| SCHEMBL15543856 | 0.81 | CFTR (0.46) | CFTRSOS1ALDH1A1L3MBTL1CA12 | |
| SCHEMBL7082612 | 0.79 | GAA (0.46) | CFTRSOS1ALDH1A1GAALMNA | |
| SCHEMBL13814561 | 0.79 | CFTR (0.60) | CFTRSOS1ALDH1A1KDM4EGAA | |
| SCHEMBL24801995 | 0.79 | SOS1 (0.47) | SOS1ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL29568744 | 0.79 | CFTR (0.60) | CFTRSOS1ALDH1A1KDM4EGAA | |
| SCHEMBL1300753 | 0.79 | GAA (0.49) | CFTRSOS1ALDH1A1KDM4EGAA | |
| SCHEMBL23526138 | 0.79 | SOS1 (0.47) | SOS1ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL16155019 | 0.79 | CFTR (0.65) | CFTRSOS1ALDH1A1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1848694-B1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | HOFFMANN LA ROCHE (CH) | 2009-11-25 | — | — | EP | disclosed |