Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 11/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4783926 | 1.00 | HRH4 (0.44) | HRH4ADORA3ADORA1PIK3CAMTOR | |
| SCHEMBL4846093 | 1.00 | HRH4 (0.44) | HRH4ADORA3ADORA1PIK3CAMTOR | |
| SCHEMBL4784653 | 0.96 | ADORA3 (0.43) | HRH4ADORA3ADORA1PIK3CAMTOR | |
| SCHEMBL4782301 | 0.92 | PIK3CA (0.43) | HRH4ADORA3ADORA1PIK3CAMTOR | |
| SCHEMBL4784017 | 0.91 | HTR2A (0.44) | ADORA3ADORA1PIK3CAMTORCYP2C19 | |
| SCHEMBL4784808 | 0.90 | PIK3CA (0.39) | HRH4ADORA3ADORA1PIK3CAMTOR | |
| SCHEMBL4784093 | 0.90 | PIK3CA (0.43) | PIK3CAMTORPIK3R1 | |
| SCHEMBL4848943 | 0.90 | PIK3CA (0.47) | PIK3CAMTORPIK3R1 | |
| SCHEMBL4781513 | 0.90 | PIK3CA (0.42) | HRH4ADORA3ADORA1PIK3CAMTOR | |
| SCHEMBL14161649 | 0.89 | PIK3CA (0.41) | HRH4ADORA3ADORA1PIK3CAMTOR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008072850-A1 | TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE | AMOREPACIFIC CORPORATION (KR) | 2008-06-19 | — | — | WO | disclosed |