Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12113063 | 0.79 | ALDH1A1 (0.42) | MAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6933553 | 0.77 | MAPK1 (0.66) | MAPK1PIK3CAMAPK8MAPK9MAPK10 | |
| SCHEMBL10919371 | 0.77 | ABL1 (0.50) | — | |
| SCHEMBL19151157 | 0.77 | ADORA3 (0.50) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL10955770 | 0.75 | MKNK1 (0.45) | — | |
| SCHEMBL6933717 | 0.75 | JUN (0.41) | MAPK1PIK3CAMAPK8MAPK9MAPK10 | |
| SCHEMBL9885815 | 0.74 | MAPT (0.56) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL13304496 | 0.74 | ADORA3 (0.46) | ALDH1A1 | |
| SCHEMBL10915665 | 0.74 | ABL1 (0.56) | — | |
| SCHEMBL1553789 | 0.74 | GSK3A (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011114275-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2011-09-22 | — | — | WO | disclosed |