Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6497184 | 0.72 | DRD2 (0.47) | DRD2DRD3KCNH2MAOAMAOB | |
| SCHEMBL17875329 | 0.64 | DGAT1 (0.40) | — | |
| SCHEMBL14061878 | 0.64 | DGAT1 (0.65) | — | |
| SCHEMBL1897561 | 0.63 | MAOA (0.45) | DRD2DRD3KCNH2MAOAMAOB | |
| SCHEMBL1601529 | 0.62 | MAPT (0.50) | DRD2DRD3KCNH2PHGDH | |
| SCHEMBL15515355 | 0.62 | PHGDH (0.47) | DRD2DRD3KCNH2DYRK1ACDK9 | |
| Ammonia Solution, Strong SCHEMBL6217297 | 0.61 | PIK3CA (0.40) | — | |
| SCHEMBL1602312 | 0.60 | TERT (0.47) | DRD2DRD3KCNH2DYRK1APHGDH | |
| SCHEMBL843445 | 0.60 | — | — | |
| SCHEMBL18527288 | 0.60 | CYP2A6 (0.41) | MAOADYRK1ACDK9 |
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-2137195-A1 | TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS | Glaxo Group Limited (GB) | 2009-12-30 | — | — | EP | disclosed |
| WO-2008128953-A1 | TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS | GLAXO GROUP LIMITED (GB) | 2008-10-30 | — | — | WO | disclosed |