Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 4/20 | 0.34 |
| ▸ | LDHB | P07195 | 4/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL106846 | 0.72 | NAMPT (0.53) | NAMPTSMYD3FDPSROCK2ROCK1 | |
| SCHEMBL109899 | 0.70 | SMYD3 (0.40) | SMYD3FDPSSMN1; SMN2HTTRAB9A | |
| SCHEMBL10099637 | 0.70 | NAMPT (0.54) | NAMPTSMYD3FDPSROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL29004721 | 0.69 | NAMPT (0.53) | NAMPTSMYD3FDPSROCK2ROCK1 | |
| SCHEMBL106831 | 0.69 | NAMPT (0.40) | NAMPTGRM1GRM4 | |
| SCHEMBL109203 | 0.69 | SIRT6 (0.41) | SMN1; SMN2RAB9AALDH1A1LMNAL3MBTL1 | |
| SCHEMBL4002227 | 0.69 | ROCK1 (0.51) | ROCK2ROCK1SMN1; SMN2RAB9A | |
| SCHEMBL108486 | 0.68 | NPC1 (0.49) | SMN1; SMN2RAB9AALDH1A1LMNA | |
| SCHEMBL13585082 | 0.68 | GRIN3B (0.45) | NAMPTSMYD3 | |
| SCHEMBL2363843 | 0.68 | SMYD3 (0.49) | NAMPTSMYD3FDPSLDHALDHB |
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-2424869-A1 | 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS | Glaxo Group Limited (GB) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010125102-A1 | 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS | GLAXO GROUP LIMITED (GB) | 2010-11-04 | — | — | WO | disclosed |