Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ATR | Q13535 | 1/20 | 0.48 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.47 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.47 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.46 |
| ▸ | MTOR | P42345 | 2/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13187609 | 0.92 | IRAK4 (0.54) | IRAK4MAPK14SMN1; SMN2TP53ATR | |
| SCHEMBL1723609 | 0.92 | IRAK4 (0.48) | IRAK4MAPK14SMN1; SMN2TP53NPC1 | |
| SCHEMBL13187261 | 0.85 | KMT2A (0.46) | IRAK4SMN1; SMN2TP53NPC1RAB9A | |
| SCHEMBL13187608 | 0.84 | MAPT (0.52) | IRAK4SMN1; SMN2TP53NPC1RAB9A | |
| SCHEMBL13187524 | 0.82 | SIRT2 (0.54) | IRAK4SMN1; SMN2TP53NPC1RAB9A | |
| SCHEMBL13187878 | 0.82 | NPC1 (0.48) | SMN1; SMN2TP53NPC1RAB9APIK3CA | |
| SCHEMBL1077393 | 0.82 | ATR (0.52) | IRAK4MAPK14SMN1; SMN2TP53ATR | |
| SCHEMBL13187529 | 0.81 | LMNA (0.49) | SMN1; SMN2ATRNPC1RAB9AMEN1 | |
| SCHEMBL13187518 | 0.81 | MAPT (0.60) | TP53NPC1RAB9AMEN1KMT2A | |
| SCHEMBL1725504 | 0.81 | KMO (0.51) | ATRPIK3CARPS6KA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102414180-A | 8-substituted quinolines and related analogs as sirtuin modulators | SIRTRIS PHARMACEUTICALS INC | 2012-04-11 | — | — | CN | disclosed |
| EP-2403833-A1 | 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010101949-A1 | 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010101949-A1 | 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-09-10 | — | — | WO | disclosed |