Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.72 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.72 |
| ▸ | KCNA2 | P16389 | 2/20 | 0.72 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.72 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.72 |
| ▸ | PGR | P06401 | 1/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.72 |
| ▸ | MAOA | P21397 | 1/20 | 0.72 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | KCNA3 | P22001 | 14/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Bergapten SCHEMBL50066 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4ECYP2A6KCNA2 | |
| Bergapten SCHEMBL29529284 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4ECYP2A6KCNA2 | |
| Bergapten SCHEMBL4731782 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4ECYP2A6KCNA2 | |
| SCHEMBL9122678 | 0.80 | ALDH1A1 (0.71) | ALDH1A1CYP3A4KDM4ECYP2A6KCNA2 | |
| SCHEMBL22361197 | 0.79 | ALDH1A1 (0.66) | ALDH1A1CYP3A4KDM4ECYP2A6KCNA2 | |
| SCHEMBL6802035 | 0.78 | ALDH1A1 (0.70) | ALDH1A1CYP3A4KDM4ECYP2A6KCNA2 | |
| Bergaptol SCHEMBL194016 | 0.78 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4ECYP2A6KCNA2 | |
| Bergaptol SCHEMBL31097369 | 0.78 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4ECYP2A6KCNA2 | |
| SCHEMBL23406793 | 0.78 | KCNA3 (0.69) | ALDH1A1CYP3A4KDM4EKCNA2CYP1A2 | |
| SCHEMBL29503682 | 0.77 | KCNA3 (0.71) | ALDH1A1CYP3A4KDM4EKCNA2CYP1A2 |
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-2017155465-A1 | COMPOUND FOR USE IN THE TREATMENT AND/OR PREVENTION OF PARASITIC MEDIATED DISEASES | LEEWARD PACIFIC PTE LTD (SG) | 2017-09-14 | — | — | WO | disclosed |