Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.46 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | HRH1 | P35367 | 5/20 | 0.44 |
| ▸ | DRD4 | P21917 | 4/20 | 0.44 |
| ▸ | DRD5 | P21918 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31280478 | 0.87 | NPC1 (0.42) | SMN1; SMN2L3MBTL1NPC1MAPTRAB9A | |
| SCHEMBL5250394 | 0.84 | PTGES (0.51) | SMN1; SMN2HPGDDRD1DRD2DRD3 | |
| SCHEMBL30024107 | 0.83 | DRD1 (0.48) | SMN1; SMN2HPGDDRD1DRD2DRD3 | |
| SCHEMBL14861385 | 0.83 | HPGD (0.51) | SMN1; SMN2HPGDDRD1DRD2DRD3 | |
| SCHEMBL9162693 | 0.82 | HPGD (0.67) | SMN1; SMN2HPGDDRD1DRD2DRD3 | |
| SCHEMBL9162686 | 0.78 | LTA4H (0.67) | CYP1A2CYP2C9L3MBTL1LTA4HCYP2D6 | |
| SCHEMBL5004521 | 0.76 | CYP3A4 (0.50) | SMN1; SMN2HPGDHRH1CYP1A2CYP2C9 | |
| SCHEMBL11090046 | 0.74 | PPARA (0.59) | SMN1; SMN2HRH1CYP1A2CYP2C9TSHR | |
| SCHEMBL3229614 | 0.74 | RAB9A (0.51) | SMN1; SMN2HPGDCYP1A2NPC1MAPT | |
| SCHEMBL17911623 | 0.74 | MAPT (0.46) | SMN1; SMN2HPGDCYP1A2L3MBTL1NPC1 |
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-112608245-A | Cationic water-soluble inclined column [6] arene and synthetic method thereof | 华南理工大学 | 2021-04-06 | — | — | CN | disclosed |