Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MTOR | P42345 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL17210409 | 0.98 | PIK3CA (0.40) | ROCK1CDC42BPBROCK2PIK3R1PIK3CA | |
| SCHEMBL17202011 | 0.83 | GSK3A (0.37) | ROCK2PIK3R1PIK3CAMTORPIK3CD | |
| SCHEMBL17202046 | 0.79 | DYRK1A (0.41) | PIK3R1PIK3CAMTORDYRK1A | |
| SCHEMBL18539061 | 0.79 | MTOR (0.38) | PIK3R1PIK3CAALDH1A1MTORDYRK1A | |
| SCHEMBL17201976 | 0.79 | MAP3K12 (0.34) | ROCK2PIK3R1PIK3CAMTORPIK3CD | |
| SCHEMBL17210337 | 0.79 | CNR2 (0.45) | ALDH1A1CNR2NPC1RAB9AKDM4E | |
| SCHEMBL9900073 | 0.79 | KDM1A (0.47) | ROCK1CDC42BPBROCK2PIK3R1PIK3CA | |
| SCHEMBL21861329 | 0.77 | MTOR (0.36) | PIK3R1PIK3CAMTOR | |
| SCHEMBL17210359 | 0.77 | MAP3K12 (0.43) | ALDH1A1DYRK1AKDM4EHPGDALOX15 | |
| SCHEMBL17210367 | 0.77 | KDM4E (0.43) | ALDH1A1CNR2DYRK1AKDM4EGAA |
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-3134410-B1 | INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL | LILLY CO ELI (US) | 2021-03-10 | — | — | EP | disclosed |