Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL18766166 | 0.78 | KIF11 (0.64) | KIF11SMN1; SMN2TAAR1MAPK1 | |
| SCHEMBL4608409 | 0.74 | MAPK1 (0.37) | MAPK1 | |
| SCHEMBL28838178 | 0.73 | ALDH1A1 (0.57) | MAPK1 | |
| SCHEMBL5762552 | 0.73 | TAAR1 (0.57) | TAAR1 | |
| SCHEMBL28577646 | 0.72 | MAPK1 (0.48) | MAPK1 | |
| SCHEMBL1243645 | 0.70 | PDE2A (0.34) | TAAR1MAPK1 | |
| SCHEMBL24702 | 0.69 | TSHR (0.35) | KIF11TAAR1MAPK1 | |
| SCHEMBL5838774 | 0.69 | ESR1 (0.38) | TAAR1MAPK1 | |
| SCHEMBL7140655 | 0.68 | TAAR1 (0.36) | TAAR1MAPK1 | |
| SCHEMBL27438977 | 0.68 | KIF11 (0.41) | KIF11SMN1; SMN2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104662006-A | Quinazolinone derivatives as PARP inhibitors | MERCK PATENT GMBH | 2015-05-27 | — | — | CN | claimed |
| CN-104662006-A | Quinazolinone derivatives as PARP inhibitors | MERCK PATENT GMBH | 2015-05-27 | — | — | CN | disclosed |