Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 3/20 | 0.48 |
| ▸ | PPARG | P37231 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.40 |
| ▸ | TPH1 | P17752 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14217521 | 0.89 | CACNA1B (0.41) | PPARAPPARGPTPN1ITGB3ITGA2B | |
| SCHEMBL13250886 | 0.86 | HCAR2 (0.49) | PTPN1ITGB3ITGA2BHCAR2CYP2C9 | |
| SCHEMBL13225536 | 0.83 | PTPN1 (0.43) | PTPN1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14217523 | 0.83 | PTPN1 (0.38) | PPARAPPARGPTPN1BCL2ALDH1A1 | |
| SCHEMBL4548463 | 0.82 | CYP4F2 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2FFAR1 | |
| SCHEMBL4548432 | 0.82 | HCAR2 (0.49) | PTPN1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13933857 | 0.78 | NPC1 (0.41) | PTPN1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4548429 | 0.76 | MAOB (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2TPH1 | |
| SCHEMBL4548407 | 0.75 | LMNA (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2FFAR1 | |
| SCHEMBL13933915 | 0.75 | HCAR2 (0.48) | HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008051403-A2 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |