Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.32 |
| ▸ | C5AR1 | P21730 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2878830 | 0.82 | ALDH1A1 (0.42) | ALDH1A1C5AR1KDM4EGAAKMT2A | |
| SCHEMBL102282 | 0.82 | ALDH1A1 (0.36) | ALDH1A1POLBCYP3A4CYP2C19CYP2D6 | |
| SCHEMBL2876443 | 0.72 | C5AR1 (0.34) | C5AR1 | |
| SCHEMBL18644291 | 0.71 | ALDH1A1 (0.37) | ALDH1A1POLBCYP3A4CYP2C19CYP2D6 | |
| SCHEMBL12444721 | 0.70 | ALDH1A1 (0.36) | ALDH1A1POLBCYP3A4CYP2C19CYP2D6 | |
| SCHEMBL9965180 | 0.69 | RAF1 (0.46) | — | |
| SCHEMBL101584 | 0.68 | SMN1; SMN2 (0.49) | ALDH1A1MAPK1KDM4EHSD17B10GAA | |
| SCHEMBL22452921 | 0.67 | KDM4E (0.48) | ALDH1A1POLBKDM4EHSD17B10GAA | |
| SCHEMBL11991433 | 0.67 | YAP1 (0.46) | ALDH1A1POLBKDM4EHSD17B10CYP2C9 | |
| SCHEMBL2878862 | 0.67 | KDM4E (0.57) | ALDH1A1POLBMAPK1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569929-B9 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC (CA) | 2011-09-14 | — | — | EP | claimed |
| EP-1569929-B1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC (CA) | 2010-05-05 | — | — | EP | claimed |