Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6986780 | 0.91 | MAOA (0.40) | MAOANOS3NOS2NPC1RAB9A | |
| SCHEMBL6986039 | 0.88 | GAA (0.41) | MAOANOS3NOS2NPC1RAB9A | |
| SCHEMBL6985896 | 0.84 | MAOA (0.44) | MAOANOS3NOS2ALDH1A1KDM4E | |
| SCHEMBL6992467 | 0.79 | MAOA (0.48) | MAOAMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL6994458 | 0.78 | MAOA (0.34) | MAOARAB9AESR1ESR2CYP1A2 | |
| SCHEMBL6986047 | 0.78 | MAOA (0.43) | MAOANOS3NOS2RAB9ASMN1; SMN2 | |
| SCHEMBL6983460 | 0.76 | MAOA (0.39) | MAOANOS3NOS2ALDH1A1KDM4E | |
| SCHEMBL6986316 | 0.74 | MAOA (0.43) | MAOANOS3NOS2SMN1; SMN2ALDH1A1 | |
| SCHEMBL6986057 | 0.74 | MAOA (0.40) | MAOANOS3NOS2MAPK10ESR1 | |
| SCHEMBL6983307 | 0.74 | NOS3 (0.45) | MAOANOS3NOS2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-8183378-B2 | Ligands, their preparation and uses thereof in asymmetric reactions | Li, Chao-Jun (CA) | 2012-05-22 | — | — | US | disclosed |