Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28298385 | 0.74 | NOS1 (0.40) | TAAR1NOS1NOS2MEN1KMT2A | |
| SCHEMBL28699058 | 0.74 | NPC1 (0.40) | MAPK1NPC1RAB9ASMN1; SMN2CHRNB4 | |
| SCHEMBL28825055 | 0.72 | CHRNB4 (0.33) | MAPK1NPC1RAB9ASMN1; SMN2NOS3 | |
| SCHEMBL1338546 | 0.72 | NPC1 (0.61) | TAAR1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22546622 | 0.71 | NISCH (0.41) | MAPK1NPC1RAB9ASMN1; SMN2NOS3 | |
| SCHEMBL22546693 | 0.71 | NISCH (0.41) | MAPK1NPC1RAB9ASMN1; SMN2NOS3 | |
| SCHEMBL28825071 | 0.70 | NOS3 (0.35) | TAAR1NPC1RAB9ASMN1; SMN2NOS3 | |
| SCHEMBL14870423 | 0.69 | NOS1 (0.41) | NOS3NOS1NOS2 | |
| SCHEMBL29437712 | 0.68 | NISCH (0.39) | TAAR1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29839561 | 0.67 | MAOA (0.35) | MAPK1CHRNB4CHRNA3L3MBTL1MEN1 |
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-102838522-A | Chiral pyrroline synthetic method by palladium-catalyzed asymmetric hydrogenation | DALIAN CHEMICAL PHYSICS INST | 2012-12-26 | — | — | CN | disclosed |