Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 4/20 | 0.35 |
| ▸ | BACE1 | P56817 | 4/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1706213 | 0.81 | MTNR1A (0.36) | HCAR3HCAR2SMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL11738540 | 0.79 | LMNA (0.36) | CTSDBACE1HCAR3HCAR2SMN1; SMN2 | |
| SCHEMBL27974805 | 0.76 | ALDH1A1 (0.37) | HCAR3HCAR2SMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL1706364 | 0.75 | AKR1B1 (0.43) | HCAR3HCAR2ALDH1A1LMNAGAA | |
| SCHEMBL856097 | 0.74 | OPRM1 (0.40) | HCAR3HCAR2SMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL27731652 | 0.74 | MAOB (0.47) | CTSKHCAR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27899553 | 0.73 | TSHR (0.38) | HCAR3HCAR2SMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL1705855 | 0.73 | GAA (0.44) | HCAR3HCAR2SMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL111212 | 0.72 | ALDH1A1 (0.50) | CTSKSMN1; SMN2ALDH1A1LMNACYP3A4 | |
| SCHEMBL507495 | 0.71 | SMN1; SMN2 (0.44) | SMN1; SMN2MAPK1ALDH1A1LMNAGAA |
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-102803237-B | Oxazole and thiazole derivatives as alx receptor agonists | ACTELION PHARMACEUTICALS LTD | 2014-09-24 | — | — | CN | disclosed |
| CN-102803237-A | Oxazole and thiazole derivatives as alx receptor agonists | ACTELION PHARMACEUTICALS LTD | 2012-11-28 | — | — | CN | disclosed |