Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 8/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 6/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28292428 | 0.70 | PNMT (0.50) | PNMTADRA2AADRA2BADRA2CMEN1 | |
| SCHEMBL22833802 | 0.70 | PNMT (0.43) | PNMTADRA2AADRA2BADRA2CCHRNB2 | |
| SCHEMBL29506360 | 0.70 | PNMT (0.43) | PNMTADRA2AADRA2BADRA2CCHRNB2 | |
| SCHEMBL1948741 | 0.68 | PNMT (0.55) | PNMTADRA2AADRA2BADRA2CMEN1 | |
| SCHEMBL10782657 | 0.68 | TDP1 (0.46) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL5620372 | 0.68 | PNMT (0.55) | PNMTADRA2AADRA2BADRA2CMEN1 | |
| SCHEMBL14472876 | 0.68 | PNMT (0.51) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL3706148 | 0.68 | PNMT (0.55) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL20898927 | 0.68 | KDM1A (0.42) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| Hydrochloric Acid SCHEMBL1642104 | 0.67 | PNMT (0.54) | PNMTADRA2AADRA2BADRA2CMEN1 |
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-109810111-A | A kind of pyrazolone miazines compound, preparation method and application | 上海医药集团股份有限公司 | 2019-05-28 | — | — | CN | disclosed |