Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.46 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.46 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | GAK | O14976 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27864398 | 0.86 | TOP2A (0.49) | CDK2DYRK3CCNT1CCNA2CDK9 | |
| SCHEMBL1725190 | 0.83 | PDE4A (0.42) | TOP2ATGFBR1MAPK14KMOADORA2A | |
| SCHEMBL1725871 | 0.81 | TOP2A (0.47) | TOP2ATGFBR1MAPK14KMOADORA2A | |
| SCHEMBL1727006 | 0.81 | MAPT (0.49) | TOP2ATGFBR1MAPK14KMOKDM4E | |
| SCHEMBL15884572 | 0.80 | RAF1 (0.44) | DYRK1AADORA2AADORA1PIK3CANPC1 | |
| SCHEMBL27847113 | 0.78 | TOP1 (0.51) | TOP2ATGFBR1MAPK14KMOADORA2A | |
| SCHEMBL1725126 | 0.77 | KMO (0.53) | TOP2ATGFBR1MAPK14KMOADORA2A | |
| SCHEMBL3123855 | 0.77 | NR1H2 (0.47) | CDK9CDK5DYRK1BGAKGSK3B | |
| SCHEMBL1725319 | 0.76 | PARP1 (0.48) | TOP2ATGFBR1MAPK14KMOADORA2A | |
| SCHEMBL3121629 | 0.76 | LRRK2 (0.48) | — |
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 |