Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | PROKR1 | Q8TCW9 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4398938 | 0.85 | HRH4 (0.46) | PIK3CAPROKR1ALDH1A1CTSAPRMT5 | |
| SCHEMBL4411361 | 0.83 | PIK3CA (0.63) | PIK3CABRAFMAPK13ALDH1A1PRMT5 | |
| SCHEMBL1791657 | 0.78 | PIK3CA (0.68) | PIK3CABRAFALDH1A1 | |
| SCHEMBL15450883 | 0.73 | GRIN2D (0.53) | ALDH1A1ALOX15MAPK10HSD17B10 | |
| SCHEMBL28978587 | 0.70 | GRIN2D (0.53) | ALDH1A1ALOX15MAPK10HSD17B10 | |
| SCHEMBL4392713 | 0.70 | LOXL2 (0.49) | ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL4409309 | 0.70 | PRMT5 (0.43) | ALDH1A1MAPK10PRMT5 | |
| SCHEMBL4394180 | 0.68 | KDM4D (0.31) | ALDH1A1 | |
| SCHEMBL2134993 | 0.68 | KDM1A (0.42) | ALDH1A1 | |
| SCHEMBL12651287 | 0.67 | POLB (0.44) | PIK3CAALDH1A1ALOX15MAPK10HSD17B10 |
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-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |