Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 9/20 | 0.45 |
| ▸ | PIK3C3 | Q8NEB9 | 8/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1562517 | 0.76 | AR (0.42) | — | |
| SCHEMBL2879248 | 0.72 | HRH3 (0.39) | — | |
| SCHEMBL7018775 | 0.71 | ROCK2 (0.45) | ATMPIK3C3ATRPRKDCROCK2 | |
| SCHEMBL1983501 | 0.71 | AR (0.46) | — | |
| SCHEMBL2882411 | 0.71 | FFAR1 (0.40) | — | |
| SCHEMBL28218835 | 0.70 | FFAR1 (0.43) | SLC6A2SLC6A4SLC6A3ATMPIK3C3 | |
| SCHEMBL8106512 | 0.70 | ADRA2A (0.47) | — | |
| SCHEMBL5929231 | 0.69 | ATM (0.45) | ATMPIK3C3ATRPRKDCROCK2 | |
| SCHEMBL27304337 | 0.69 | HSD11B1 (0.45) | — | |
| SCHEMBL350911 | 0.69 | HSD11B1 (0.48) | — |
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-2800738-A1 | HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE | Spinifex Pharmaceuticals Pty Ltd (AU) | 2014-11-12 | — | — | EP | disclosed |
| WO-2013102242-A1 | HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2013-07-11 | — | — | WO | disclosed |