Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | PSMB1 | P20618 | 5/20 | 0.35 |
| ▸ | PSMB9 | P28065 | 4/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 4/20 | 0.35 |
| ▸ | PSMB10 | P40306 | 4/20 | 0.35 |
| ▸ | PSMB2 | P49721 | 4/20 | 0.35 |
| ▸ | PSMB8 | P28062 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13250478 | 0.89 | HCAR2 (0.44) | HCAR2 | |
| SCHEMBL13225534 | 0.87 | HCAR2 (0.38) | PTPN1HCAR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14217522 | 0.83 | PPARA (0.48) | PTPN1HCAR2BCL2NPC1RAB9A | |
| SCHEMBL14217521 | 0.79 | CACNA1B (0.41) | PTPN1BCL2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13225537 | 0.74 | HCAR2 (0.47) | HCAR2 | |
| SCHEMBL13225492 | 0.73 | HCAR2 (0.56) | HCAR2 | |
| SCHEMBL13250886 | 0.72 | HCAR2 (0.49) | PTPN1HCAR2 | |
| SCHEMBL4548463 | 0.71 | CYP4F2 (0.53) | HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL13225536 | 0.70 | PTPN1 (0.43) | PTPN1HCAR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4548432 | 0.70 | HCAR2 (0.49) | PTPN1HCAR2NPC1RAB9ASMN1; SMN2 |
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 |