Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL17626080 | 0.86 | CYP2A6 (0.40) | CYP2D6MAOAMAPK1ADRA1ASCN4A | |
| SCHEMBL17626025 | 0.84 | HSP90AA1 (0.36) | CYP2D6MAOAMAPK1ADRA1ASCN4A | |
| SCHEMBL17626097 | 0.71 | MAPK1 (0.38) | CYP2D6MAOAMAPK1ADRA1ASCN4A | |
| SCHEMBL2688813 | 0.66 | MAOB (0.72) | TAAR1MAOBCSNK2A1PNMTDPP4 | |
| SCHEMBL24034250 | 0.65 | PTPN11 (0.53) | CYP2D6MAOAMAPK1ADRA1ASCN4A | |
| SCHEMBL30040174 | 0.65 | PTPN11 (0.53) | CYP2D6MAOAMAPK1ADRA1ASCN4A | |
| SCHEMBL17626167 | 0.64 | IDO1 (0.43) | — | |
| SCHEMBL8543656 | 0.64 | ALDH1A1 (0.43) | MAPK1 | |
| SCHEMBL28956611 | 0.64 | HRH3 (0.59) | TAAR1MAOBCSNK2A1DPP4HRH3 | |
| SCHEMBL28281371 | 0.63 | TAAR1 (0.68) | TAAR1MAOBCSNK2A1DPP4HRH3 |
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-109776537-A | Purinedione as WNT pathway modulators | 新加坡科技研究局 | 2019-05-21 | — | — | CN | disclosed |
| CN-105452248-A | Purine diones as WNT pathway modulators | AGENCY SCIENCE TECH & RES | 2016-03-30 | — | — | CN | disclosed |