Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 8/20 | 0.45 |
| ▸ | MAOB | P27338 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | LDHB | P07195 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152911 | 0.80 | ESR2 (0.38) | MAOAMAOBMEN1KMT2AESR2 | |
| SCHEMBL20152948 | 0.77 | MAOA (0.38) | MAOAMAOBMEN1KMT2ARXRA | |
| SCHEMBL20152959 | 0.74 | COMT (0.39) | MAOAMAOBMEN1KMT2ABACE1 | |
| SCHEMBL20152928 | 0.67 | MAOA (0.43) | MAOAMAOBMEN1KMT2ARPS6KA3 | |
| SCHEMBL13999136 | 0.65 | ESR1 (0.40) | MAOAMAOBACHERXRARXRB | |
| SCHEMBL23908222 | 0.64 | TDP1 (0.47) | MAOBMEN1KMT2ALDHALDHB | |
| SCHEMBL15929640 | 0.64 | ACHE (0.59) | MAOAMAOBMEN1KMT2ALDHA | |
| SCHEMBL1005237 | 0.63 | MEN1 (0.46) | MAOAMAOBMEN1KMT2ARPS6KA3 | |
| SCHEMBL673890 | 0.63 | ALDH1A1 (0.54) | MAOAMAOBMEN1KMT2AACHE | |
| SCHEMBL14283893 | 0.62 | BACE1 (0.55) | MAOAMAOBMEN1KMT2ARPS6KA3 |
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 |