Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1721891 | 0.92 | IRAK4 (0.51) | IRAK4RPS6KA3NPC1RAB9ASIRT2 | |
| SCHEMBL13187608 | 0.90 | MAPT (0.52) | IRAK4RPS6KA3MAPTNPC1RAB9A | |
| SCHEMBL13187524 | 0.85 | SIRT2 (0.54) | IRAK4MAPTNPC1RAB9APOLB | |
| SCHEMBL13187218 | 0.84 | WNT1 (0.47) | RPS6KA3SIRT2SMN1; SMN2ABL1BCR | |
| SCHEMBL13187518 | 0.83 | MAPT (0.60) | MAPTNPC1RAB9APOLBMAPK1 | |
| SCHEMBL13187609 | 0.83 | IRAK4 (0.54) | IRAK4MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL13187879 | 0.81 | RPS6KA3 (0.44) | RPS6KA3NPC1RAB9ASIRT2ALDH1A1 | |
| SCHEMBL13187138 | 0.81 | DYRK1A (0.47) | RPS6KA3SIRT2SMN1; SMN2ABL1BCR | |
| SCHEMBL13187192 | 0.80 | NPC1 (0.50) | RPS6KA3MAPTNPC1RAB9ASIRT2 | |
| SCHEMBL13187634 | 0.80 | DYRK1A (0.56) | RPS6KA3ABL1BCR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |