Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12654439 | 0.89 | CA2 (0.39) | KMOCA2CA9NPY5RFYN | |
| SCHEMBL12654500 | 0.89 | CA2 (0.44) | KMOCA2CA9HTR2AHTR2C | |
| SCHEMBL12654440 | 0.88 | KMO (0.42) | KMOCA2CA9FYNPIK3CD | |
| SCHEMBL12654396 | 0.88 | MPL (0.45) | KMOCA2CA9FYNPIK3CD | |
| SCHEMBL1817665 | 0.88 | SPR (0.42) | KMOCA2CA9FYNPIK3CD | |
| SCHEMBL17655480 | 0.88 | ALOX15 (0.47) | KMOCA2CA9FYNPIK3CD | |
| SCHEMBL12654499 | 0.87 | MEN1 (0.42) | KMOCA2CA9FYNHTR2A | |
| SCHEMBL12654397 | 0.87 | FAAH (0.41) | KMOCA2CA9HTR2AHTR2C | |
| SCHEMBL12959003 | 0.86 | HTR2C (0.44) | CA2CA9FYNPIK3CDPIK3CA | |
| SCHEMBL16563448 | 0.86 | KMO (0.41) | KMOCA2CA9NPY5RFYN |
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 |