Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.40 |
| ▸ | MTOR | P42345 | 3/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 2/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23073664 | 0.98 | ROCK1 (0.41) | PIK3CAPIK3R1MTORROCK2ROCK1 | |
| SCHEMBL17202011 | 0.84 | GSK3A (0.37) | PIK3CAPIK3R1MTORROCK2PIK3CD | |
| SCHEMBL17202046 | 0.81 | DYRK1A (0.41) | PIK3CAPIK3R1MTORDYRK1AIRAK4 | |
| SCHEMBL17201976 | 0.81 | MAP3K12 (0.34) | PIK3CAPIK3R1MTORROCK2PIK3CD | |
| SCHEMBL18539061 | 0.81 | MTOR (0.38) | PIK3CAPIK3R1MTORALDH1A1DYRK1A | |
| SCHEMBL21861329 | 0.79 | MTOR (0.36) | PIK3CAPIK3R1MTORPTPN11IRAK4 | |
| SCHEMBL17210359 | 0.78 | MAP3K12 (0.43) | ALDH1A1DYRK1A | |
| SCHEMBL17210367 | 0.78 | KDM4E (0.43) | ALDH1A1DYRK1ACNR2 | |
| SCHEMBL4947574 | 0.78 | KDM1A (0.48) | PIK3CAPIK3R1PIK3CDPIK3CBALDH1A1 | |
| SCHEMBL17201970 | 0.77 | PIK3CA (0.35) | PIK3CAPIK3R1MTORIRAK4FEN1 |
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-3134410-B1 | INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL | LILLY CO ELI (US) | 2021-03-10 | — | — | EP | disclosed |
| WO-2015164643-A1 | INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL | HYDRA BIOSCIENCES, INC. (US) | 2015-10-29 | — | — | WO | disclosed |