Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28812822 | 0.78 | CYP2A6 (0.54) | CYP2A6PTGER4ALDH1A1TYRALDH1A3 | |
| SCHEMBL8687281 | 0.74 | PTGER4 (0.49) | CYP2A6PTGER4ALDH1A1TYRALDH1A3 | |
| SCHEMBL28215043 | 0.72 | MAPT (0.33) | HSD17B10MAPTTHRBMEN1HPGD | |
| SCHEMBL15970954 | 0.71 | CYP2A6 (0.64) | CYP2A6PTGER4ALDH1A1TYRALDH1A3 | |
| SCHEMBL4728764 | 0.68 | MEN1 (0.56) | PTGER4ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27688161 | 0.68 | CYP2A6 (0.46) | CYP2A6PTGER4TYR | |
| SCHEMBL14690041 | 0.68 | ALDH1A1 (0.41) | CYP2A6PTGER4ALDH1A1TYRALDH1A3 | |
| SCHEMBL15970760 | 0.67 | PTGER4 (0.46) | CYP2A6PTGER4ALDH1A1TYRALDH1A3 | |
| SCHEMBL28833063 | 0.66 | CYP2A6 (0.56) | CYP2A6ALDH1A1HSD17B10MAPTTHRB | |
| SCHEMBL14270984 | 0.65 | TYR (0.63) | CYP2A6ALDH1A1TYRALDH1A3TSHR |
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-105051037-B | Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent | LG化学株式会社 | 2018-05-18 | — | — | CN | disclosed |