Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152979 | 0.71 | MAOA (0.35) | HTR1AHTR7DRD2MAOAMEN1 | |
| SCHEMBL20152911 | 0.70 | ESR2 (0.38) | HTR1AHTR7MAPTSMN1; SMN2TP53 | |
| SCHEMBL20152928 | 0.69 | MAOA (0.43) | MAOAMEN1KMT2AMAOB | |
| SCHEMBL18970453 | 0.64 | ACHE (0.47) | MAPTSMN1; SMN2TP53THRBALOX15 | |
| SCHEMBL20153038 | 0.64 | HTR2A (0.36) | HTR7MAOAMAOB | |
| SCHEMBL277298 | 0.62 | ACHE (0.54) | MAPTSMN1; SMN2TP53THRBCHRM3 | |
| SCHEMBL20152962 | 0.60 | TP53 (0.39) | MAPTTP53DRD2DRD1ALOX15 | |
| SCHEMBL27619264 | 0.60 | MEN1 (0.39) | MAPTNPSR1MEN1KMT2A | |
| SCHEMBL14850868 | 0.59 | ACHE (0.54) | MAPTSMN1; SMN2TP53THRBALOX15 | |
| SCHEMBL321421 | 0.58 | HTR7 (0.51) | HTR1AHTR7MAOBESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |