Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | MERTK | Q12866 | 2/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.40 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.40 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20594787 | 0.80 | ALDH1A1 (0.43) | ALDH1A1NPSR1ATMSMN1; SMN2RPS6KB1 | |
| SCHEMBL20595050 | 0.78 | ALDH1A1 (0.41) | ALDH1A1NPSR1ATMSMN1; SMN2RPS6KB1 | |
| SCHEMBL31522407 | 0.78 | ALDH1A1 (0.47) | ALDH1A1NPSR1ATMSMN1; SMN2RPS6KB1 | |
| SCHEMBL23467068 | 0.77 | CNR2 (0.45) | MERTKMAPTKDM4E | |
| SCHEMBL3605146 | 0.76 | MERTK (0.46) | ALDH1A1NPSR1ATMSMN1; SMN2MERTK | |
| SCHEMBL23467071 | 0.76 | ALDH1A1 (0.50) | ALDH1A1NPSR1ATMSMN1; SMN2RPS6KB1 | |
| SCHEMBL15970815 | 0.76 | KDM4E (0.44) | ALDH1A1NPSR1SMN1; SMN2HCAR3L3MBTL1 | |
| SCHEMBL7971299 | 0.75 | MERTK (0.48) | ALDH1A1NPSR1ATMSMN1; SMN2MERTK | |
| SCHEMBL19644534 | 0.75 | CNR2 (0.46) | ALDH1A1NPSR1ATMSMN1; SMN2RPS6KB1 | |
| SCHEMBL29704358 | 0.75 | CNR2 (0.46) | ALDH1A1NPSR1ATMSMN1; SMN2RPS6KB1 |
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-114761401-A | Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions containing the same as active ingredient | 株式会社LG化学 | 2022-07-15 | — | — | CN | disclosed |
| WO-2021112461-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE AGENT | 주식회사 엘지화학 | 2021-06-10 | — | — | WO | disclosed |