Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 6/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | HRH2 | P25021 | 2/20 | 0.53 |
| ▸ | HRH1 | P35367 | 2/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31461542 | 0.95 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL3069766 | 0.90 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL14334656 | 0.88 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL21041191 | 0.88 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL30283170 | 0.87 | HTR2C (0.52) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL27242728 | 0.85 | MEN1 (0.53) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL3069899 | 0.85 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL30368837 | 0.85 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL12526593 | 0.85 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL21209423 | 0.83 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107098886-B | Prazinone-containing quinazolinone PARP-1/2 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-07-14 | — | — | CN | disclosed |