Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.37 |
| ▸ | MTOR | P42345 | 4/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 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 | |
|---|---|---|---|---|
| SCHEMBL16516729 | 0.91 | KMO (0.39) | PIK3CAMTORPIK3CDPIK3CGSMN1; SMN2 | |
| SCHEMBL16517270 | 0.87 | MRGPRX4 (0.39) | PIK3CAMTORPIK3CDPIK3CGGAA | |
| SCHEMBL16532453 | 0.82 | MAP3K14 (0.46) | AURKARPS6KB1MAPK9MAPK10LRRK2 | |
| SCHEMBL16516862 | 0.79 | PDE4A (0.51) | AURKARPS6KB1GAAKDM4EALDH1A1 | |
| SCHEMBL16517092 | 0.79 | MAP3K14 (0.40) | GAASMN1; SMN2KDM4EALDH1A1PDE4A | |
| SCHEMBL16517022 | 0.77 | MAOB (0.38) | AURKARPS6KB1KDM4EPDE4ATYK2 | |
| SCHEMBL16532395 | 0.73 | MAPT (0.45) | GAASMN1; SMN2MAPK10ABCB1KDM4E | |
| SCHEMBL16517380 | 0.69 | RPA1 (0.40) | AURKASMN1; SMN2NPSR1ALDH1A1HTT | |
| SCHEMBL16516797 | 0.69 | PDE4A (0.44) | AURKASMN1; SMN2KDM4EALDH1A1PDE4A | |
| SCHEMBL30099106 | 0.68 | KMO (0.48) | PIK3CAPIK3CDPIK3CGSMN1; SMN2LMNA |
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-3036230-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015025025-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |