Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30595880 | 0.86 | REN (0.44) | GAAMGLLSIGMAR1PARP1ALOX5 | |
| SCHEMBL23851488 | 0.83 | ALDH1A1 (0.48) | SMN1; SMN2ALDH1A1GAAMGLLSIGMAR1 | |
| SCHEMBL23851277 | 0.82 | MGLL (0.46) | SMN1; SMN2ALDH1A1GAAMGLLRXFP1 | |
| SCHEMBL23852183 | 0.82 | NPC1 (0.50) | SMN1; SMN2ALDH1A1GAAMGLLRXFP1 | |
| SCHEMBL29016419 | 0.80 | SCN9A (0.43) | SMN1; SMN2ALDH1A1GAAMGLLSIGMAR1 | |
| SCHEMBL23851279 | 0.79 | MGLL (0.52) | SMN1; SMN2ALDH1A1GAAMGLLRXFP1 | |
| SCHEMBL19717800 | 0.77 | SCN7A (0.47) | SMN1; SMN2ALDH1A1GAAMGLLSIGMAR1 | |
| SCHEMBL30237082 | 0.75 | SIGMAR1 (0.41) | SMN1; SMN2ALDH1A1GAASIGMAR1RXFP1 | |
| SCHEMBL10251448 | 0.75 | SIGMAR1 (0.50) | SMN1; SMN2SIGMAR1PARP1RXFP1HRH4 | |
| SCHEMBL17978906 | 0.74 | HRH3 (0.40) | SMN1; SMN2ALDH1A1SIGMAR1NPC1RAB9A |
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-102666489-B | Sphingosine kinase inhibitors | MERCK PATENT GMBH | 2014-07-23 | — | — | CN | disclosed |