Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 3/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14294948 | 0.83 | HTR5A (0.43) | HTR5APARP10PARP11ALDH1A1GAA | |
| SCHEMBL19257866 | 0.83 | — | — | |
| SCHEMBL19657741 | 0.82 | GAA (0.41) | HTR5APARP10PARP11ALDH1A1GAA | |
| SCHEMBL290721 | 0.76 | PNMT (0.48) | PARP10PARP11PNMT | |
| SCHEMBL7420026 | 0.76 | MAPT (0.34) | ALDH1A1GAAMAPTHSD17B10CHRNB2 | |
| SCHEMBL12545829 | 0.76 | CHRNB2 (0.38) | ALDH1A1GAAHSD17B10CHRNB2CHRNA4 | |
| SCHEMBL28590347 | 0.73 | PARP10 (0.42) | HTR5APARP10PARP11ALDH1A1GAA | |
| SCHEMBL22093074 | 0.72 | CYP2A6 (0.37) | ALDH1A1GAAMAPTHSD17B10RAB9A | |
| SCHEMBL4060436 | 0.72 | PNMT (0.54) | CHRNB2CHRNA4PNMT | |
| SCHEMBL30020921 | 0.72 | MAPT (0.44) | HTR5APARP10PARP11ALDH1A1GAA |
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-2922840-B1 | BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2016-12-21 | — | — | EP | disclosed |