Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 3/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.39 |
| ▸ | CDK2 | P24941 | 3/20 | 0.39 |
| ▸ | CLK2 | P49760 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 3/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 3/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.39 |
| ▸ | BRSK1 | Q8TDC3 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12654396 | 0.88 | MPL (0.45) | HTR2CHTR2AKMOKDRCA2 | |
| SCHEMBL17655481 | 0.88 | KMO (0.43) | HTR2CHTR2AKMOCDK2GSK3B | |
| SCHEMBL16563456 | 0.87 | ALOX15 (0.46) | ALOX15TSHRCASP1NPSR1HSD17B10 | |
| SCHEMBL19365508 | 0.86 | FGFR4 (0.42) | HSD17B10HTR2CHTR2AKMOCA2 | |
| SCHEMBL12654500 | 0.86 | CA2 (0.44) | HTR2CHTR2AKMOKDRFGFR1 | |
| SCHEMBL20631979 | 0.86 | CYP11B2 (0.41) | ALOX15TSHRCASP1NPSR1HSD17B10 | |
| SCHEMBL12654397 | 0.85 | FAAH (0.41) | CYP3A4CYP2D6HTR2CHTR2AKMO | |
| SCHEMBL12959003 | 0.85 | HTR2C (0.44) | HTR2CHTR2AKDRCA2CA9 | |
| SCHEMBL12959008 | 0.84 | PHGDH (0.49) | KMOADORA2A | |
| SCHEMBL12654440 | 0.83 | KMO (0.42) | HTR2CHTR2AKMOGSK3BCA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9556201-B2 | Bicyclic pyridines and analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-01-31 | — | — | US | disclosed |
| US-9556201-B2 | Bicyclic pyridines and analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-01-31 | — | — | US | disclosed |
| EP-2493888-B1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-04-06 | — | — | EP | disclosed |