Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.83 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.83 |
| ▸ | TSHR | P16473 | 2/20 | 0.83 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.83 |
| ▸ | PRKDC | P78527 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HMGCR | P04035 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 2/20 | 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 | |
|---|---|---|---|---|
| Asaraldehyde SCHEMBL333451 | 0.91 | ALDH1A1 (1.00) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| Asaraldehyde SCHEMBL29456596 | 0.91 | ALDH1A1 (1.00) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| Asaraldehyde SCHEMBL27489564 | 0.89 | ALDH1A1 (0.95) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL3136850 | 0.87 | ALDH1A1 (0.90) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL10849623 | 0.84 | ALDH1A1 (0.86) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL2761533 | 0.82 | ALDH1A1 (0.74) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL5698339 | 0.82 | ALDH1A1 (0.81) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL9915849 | 0.80 | ALDH1A1 (0.78) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL21643361 | 0.80 | ALDH1A1 (0.70) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL28281706 | 0.80 | ALDH1A1 (0.59) | ALDH1A1KDM4ETSHRTDP1PRKDC |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109705078-A | The chemical total synthesis method of escoparone | 西南大学 | 2019-05-03 | — | — | CN | claimed |
| CN-109705078-A | The chemical total synthesis method of escoparone | 西南大学 | 2019-05-03 | — | — | CN | disclosed |