Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.39 |
| ▸ | PLA2G6 | O60733 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11484366 | 0.80 | MT-CO2 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19KDM1A | |
| SCHEMBL28478620 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL4802338 | 0.75 | IDO1 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL8027870 | 0.75 | CYP2C9 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL31596834 | 0.73 | KDM1A (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL11476638 | 0.72 | SLC6A2 (0.40) | KMT2AMAPK1LMNANPC1RAB9A | |
| SCHEMBL4800917 | 0.71 | IDO1 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL15874844 | 0.71 | IDO1 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL24806685 | 0.68 | MT-CO2 (0.43) | MEN1KMT2AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL11473867 | 0.68 | MT-CO2 (0.43) | MEN1KMT2AALDH1A1HPGDSMN1; SMN2 |
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-108586284-B | Axial chiral aryl olefin compound and synthesis method thereof | 杭州师范大学 | 2020-11-06 | — | — | CN | disclosed |