Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 7/20 | 0.41 |
| ▸ | MAOA | P21397 | 5/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30515141 | 0.80 | CHRNB4 (0.46) | NISCHRAB9AMAOBMAOANOS3 | |
| SCHEMBL25319906 | 0.80 | CHRNB4 (0.46) | NISCHRAB9AMAOBMAOANOS3 | |
| SCHEMBL25918192 | 0.80 | CHRNB4 (0.46) | NISCHRAB9AMAOBMAOANOS3 | |
| SCHEMBL25319908 | 0.80 | CHRNB4 (0.46) | NISCHRAB9AMAOBMAOANOS3 | |
| SCHEMBL28559384 | 0.73 | MAOB (0.43) | NISCHMAOBMAOACHRNB4CHRNA3 | |
| SCHEMBL26984249 | 0.73 | CHRNB4 (0.38) | NISCHRAB9AMAOBMAOACHRNB4 | |
| SCHEMBL19675145 | 0.72 | MAOB (0.40) | NISCHRAB9AMAOBMAOA | |
| SCHEMBL9228731 | 0.71 | CHRNB4 (0.36) | NISCHRAB9AMAOBMAOACHRNB4 | |
| SCHEMBL10072935 | 0.69 | RAB9A (0.51) | NISCHRAB9AMAOBMAOAKDM4E | |
| Trifluoroacetic Acid SCHEMBL25319887 | 0.69 | PGR (0.37) | RAB9ANOS3NOS1NOS2CHRNB4 |
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-109734643-B | Method for synthesizing pyrroline compound by catalyzing amino alcohol and enol with iron | 陕西师范大学 | 2021-05-14 | — | — | CN | disclosed |
| CN-109734643-A | The method that iron catalytic amino alcohol synthesizes pyrrolines with enol | 陕西师范大学 | 2019-05-10 | — | — | CN | disclosed |