Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 18/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 18/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30342289 | 0.88 | KMT2A (0.33) | ALDH1A1CYP4F2CYP4A11 | |
| Hydrochloric Acid SCHEMBL8559890 | 0.86 | MAPK1 (0.33) | — | |
| SCHEMBL6629750 | 0.84 | CYP4F2 (0.49) | ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL13282000 | 0.81 | MAPK1 (0.44) | ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL5180329 | 0.81 | CYP2D6 (0.40) | ALDH1A1 | |
| SCHEMBL28278254 | 0.77 | CYP2C19 (0.47) | ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL27782501 | 0.77 | OPRM1 (0.35) | — | |
| SCHEMBL27942405 | 0.77 | OPRM1 (0.31) | — | |
| SCHEMBL744367 | 0.76 | MAPK1 (0.45) | ALDH1A1 | |
| SCHEMBL1292699 | 0.74 | CYP2D6 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103619838-B | Piperidinyl monocarboxylic acids as S1P1 receptor agonists | 生物计划公司 | 2016-08-24 | — | — | CN | disclosed |