Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 9/20 | 0.34 |
| ▸ | PPARD | Q03181 | 8/20 | 0.34 |
| ▸ | PPARG | P37231 | 7/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL17190561 | 0.93 | FAAH (0.38) | PPARAPPARDPPARGFAAHMGLL | |
| SCHEMBL19525800 | 0.88 | ALDH1A1 (0.33) | PPARAPPARDPPARGALDH1A1KDM4E | |
| SCHEMBL21846599 | 0.83 | ALDH1A1 (0.42) | ALDH1A1KDM4ECYP1A2POLBHPGD | |
| SCHEMBL22902138 | 0.82 | PRMT1 (0.34) | ALDH1A1KDM4EHPGDTSHRHSD17B10 | |
| SCHEMBL21376714 | 0.78 | PRMT1 (0.36) | ALDH1A1KDM4EHPGDTSHRHSD17B10 | |
| SCHEMBL17190557 | 0.77 | STAT3 (0.41) | ALDH1A1KDM4EPOLBTDP1NPC1 | |
| SCHEMBL12558353 | 0.72 | MGLL (0.58) | FAAHMGLLNR1H3NR1H2ALDH1A1 | |
| SCHEMBL13498709 | 0.70 | ICAM1 (0.34) | PPARA | |
| SCHEMBL23135522 | 0.70 | POLB (0.52) | PPARAPPARDPPARGFAAHMGLL | |
| SCHEMBL17484031 | 0.69 | TERT (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3623451-A1 | COMPOUND | Merck Patent GmbH (DE) | 2020-03-18 | — | — | EP | disclosed |