Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 5/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CKS1B | P61024 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152909 | 0.81 | CYP3A4 (0.36) | TYRTP53CYP3A4ALOX15ALDH1A1 | |
| SCHEMBL20153002 | 0.80 | HSD17B10 (0.39) | TYRTP53CYP3A4ALOX15ALDH1A1 | |
| SCHEMBL20152910 | 0.80 | MAOB (0.43) | ALOX15ALDH1A1HSD17B10MAOBEGFR | |
| SCHEMBL20153032 | 0.80 | TYR (0.37) | TYRTP53CYP3A4ALOX15ALDH1A1 | |
| SCHEMBL20152974 | 0.80 | TYR (0.33) | TYRTP53CYP3A4ALOX15ALDH1A1 | |
| SCHEMBL20152917 | 0.75 | ESR2 (0.46) | EGFRALOX5 | |
| SCHEMBL20153023 | 0.74 | HSD17B10 (0.34) | CYP3A4ALOX15ALDH1A1HSD17B10MAPT | |
| SCHEMBL20152939 | 0.74 | ESR2 (0.37) | MAOBMEN1KMT2A | |
| SCHEMBL20152897 | 0.74 | ESR1 (0.33) | TYRCYP3A4ALDH1A1TSHR | |
| SCHEMBL20152998 | 0.74 | SLC13A5 (0.40) | ALOX15ALDH1A1HSD17B10MAOBMEN1 |
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 |