Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.48 |
| ▸ | KMO | O15229 | 2/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | RORB | Q92753 | 3/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | PLAT | P00750 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1722891 | 0.89 | KMO (0.57) | PARP1KMOPIK3CDPIK3CAPIK3CG | |
| Formic Acid SCHEMBL1725166 | 0.85 | KMO (0.53) | PARP1KMOPIK3CDPIK3CAPIK3CG | |
| SCHEMBL1725164 | 0.84 | KMO (0.44) | PARP1KMOPIK3CDPIK3CAPIK3CG | |
| SCHEMBL1725319 | 0.81 | PARP1 (0.48) | PARP1KMOKMT2AKIF11ALDH1A1 | |
| SCHEMBL13187651 | 0.80 | MPL (0.47) | KMOBRAFCNR2 | |
| SCHEMBL1724006 | 0.79 | CCNA2 (0.43) | KMOKMT2AALDH1A1KDM4EADORA2A | |
| SCHEMBL1725601 | 0.79 | THRB (0.44) | KMOALDH1A1KDM4EADORA2AADORA1 | |
| SCHEMBL1722586 | 0.79 | ALOX15 (0.56) | KMOPIK3CDPIK3CAPIK3CGBRAF | |
| SCHEMBL1722768 | 0.79 | KMO (0.41) | PARP1KMOALDH1A1KDM4EADORA2A | |
| SCHEMBL13187121 | 0.77 | EGFR (0.57) | ALDH1A1KDM4EBRAF |
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 2 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 |