Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152910 | 0.91 | MAOB (0.43) | SLC13A5MAOBTTRBACE1ALDH1A1 | |
| SCHEMBL20153002 | 0.91 | HSD17B10 (0.39) | ALDH1A1MAPTALOX15HSD17B10 | |
| SCHEMBL20153023 | 0.84 | HSD17B10 (0.34) | ALDH1A1MAPTADRA1AALOX15RECQL | |
| SCHEMBL20152998 | 0.84 | SLC13A5 (0.40) | SLC13A5MAOBTTRBACE1ALDH1A1 | |
| SCHEMBL20153024 | 0.79 | ESR2 (0.40) | SLC13A5TTRBACE1ALDH1A1GAA | |
| SCHEMBL20152905 | 0.79 | TTR (0.43) | TTRBACE1ALDH1A1GAAMAPT | |
| SCHEMBL20152909 | 0.74 | CYP3A4 (0.36) | MAOBALDH1A1TAAR1ALOX15RECQL | |
| SCHEMBL20153032 | 0.73 | TYR (0.37) | BACE1ALDH1A1MAPTMEN1ALOX15 | |
| SCHEMBL20153028 | 0.73 | TYR (0.33) | MAOBALDH1A1MAPTMEN1ALOX15 | |
| SCHEMBL20152974 | 0.73 | TYR (0.33) | MAOBBACE1ALDH1A1GAAMAPT |
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 |