Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 5/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13875069 | 0.88 | PNMT (0.54) | PNMTADRA2AADRA2BADRA2CPGR | |
| SCHEMBL26601382 | 0.88 | PNMT (0.54) | PNMTADRA2AADRA2BADRA2CPGR | |
| Hydrochloric Acid SCHEMBL4169138 | 0.87 | PNMT (0.53) | PNMTADRA2AADRA2BADRA2CPGR | |
| SCHEMBL27035058 | 0.78 | ATM (0.46) | PNMTADRA2APGR | |
| SCHEMBL20214487 | 0.76 | PNMT (0.50) | PNMTADRA2AADRA2BADRA2CHTR2A | |
| SCHEMBL24869958 | 0.74 | PNMT (0.54) | PNMTADRA2AADRA2BADRA2CHTR2A | |
| SCHEMBL28069542 | 0.74 | PNMT (0.54) | PNMTADRA2AADRA2BADRA2CHTR2A | |
| Trifluoroacetamide SCHEMBL28791521 | 0.73 | MELK (0.53) | PNMTADRA2AADRA2BADRA2CMELK | |
| SCHEMBL8258918 | 0.72 | PNMT (0.55) | PNMTADRA2AADRA2BADRA2CHTR2A | |
| SCHEMBL18875031 | 0.71 | PNMT (0.54) | PNMTADRA2AADRA2BADRA2CHTR2A |
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-112142731-B | 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof | 成都赜灵生物医药科技有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-112142731-A | 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof | 成都赜灵生物医药科技有限公司 | 2020-12-29 | — | — | CN | disclosed |