Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | TKT | P29401 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.34 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27769442 | 0.83 | CYP2C9 (0.39) | PPARDDAOCYP2C9TKTTRPV4 | |
| SCHEMBL27769496 | 0.82 | MMP13 (0.39) | DAOMMP13KCNQ3KCNQ2GRIN1 | |
| SCHEMBL27769444 | 0.77 | ALDH1A1 (0.48) | PPARDCYP2C9CYP2C19CYP3A4 | |
| SCHEMBL27791003 | 0.75 | LOXL2 (0.41) | DAOCYP2C9TRPV4KDM1AMAOA | |
| SCHEMBL27769441 | 0.74 | SIGMAR1 (0.39) | DAOMMP13PTGS1PTGS2 | |
| SCHEMBL27790940 | 0.73 | MMP13 (0.36) | DAOMMP13GRIN1GRIN2BCYP3A4 | |
| SCHEMBL27769529 | 0.73 | TKT (0.40) | PPARDDAOTKTTRPV4KCNQ3 | |
| SCHEMBL27790908 | 0.72 | SLC6A4 (0.38) | DAOMMP13MAOAMAOB | |
| SCHEMBL27790928 | 0.72 | TKT (0.37) | PPARDDAOTKTTRPV4KCNQ3 | |
| SCHEMBL3743226 | 0.72 | PIM1 (0.42) | PPARDDAOTKTMMP13KCNQ3 |
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-101627007-A | Aminoamides as orexin antagonists | HOFFMANN LA ROCHE | 2010-01-13 | — | — | CN | claimed |
| CN-101627007-A | Aminoamides as orexin antagonists | HOFFMANN LA ROCHE | 2010-01-13 | — | — | CN | disclosed |