Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 16/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 16/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.54 |
| ▸ | LMNA | P02545 | 11/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 9/20 | 0.54 |
| ▸ | TSHR | P16473 | 9/20 | 0.54 |
| ▸ | USP2 | O75604 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4190916 | 0.99 | CYP1A2 (0.53) | CYP1A2CLK4CYP3A4LMNAALDH1A1 | |
| SCHEMBL4177706 | 0.89 | MAP4K4 (0.46) | CYP1A2CLK4CYP3A4LMNAALDH1A1 | |
| SCHEMBL4168730 | 0.87 | MAP4K4 (0.43) | CYP1A2CLK4CYP3A4LMNAALDH1A1 | |
| SCHEMBL4187763 | 0.83 | MAP4K4 (0.56) | CYP1A2CLK4CYP3A4LMNAALDH1A1 | |
| SCHEMBL4188366 | 0.82 | CYP1A2 (0.56) | CYP1A2CLK4CYP3A4LMNAALDH1A1 | |
| SCHEMBL4654175 | 0.80 | CD38 (0.47) | CYP1A2CLK4CYP3A4LMNAALDH1A1 | |
| SCHEMBL4178315 | 0.80 | CYP3A4 (0.48) | CYP1A2CLK4CYP3A4LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL4182086 | 0.79 | CD38 (0.46) | CYP1A2CLK4CYP3A4LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL4184206 | 0.79 | CD38 (0.47) | CYP1A2CLK4CYP3A4LMNAALDH1A1 | |
| SCHEMBL4176493 | 0.79 | CLK4 (0.54) | CYP1A2CLK4CYP3A4LMNAALDH1A1 |
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-1996562-A1 | SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2008-12-03 | — | — | EP | claimed |
| WO-2007104560-A1 | SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2007-09-20 | — | — | WO | claimed |