Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 7/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.37 |
| ▸ | HTR3B | O95264 | 2/20 | 0.37 |
| ▸ | HTR3A | P46098 | 2/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.34 |
| ▸ | ATP4A | P20648 | 1/20 | 0.34 |
| ▸ | ATP4B | P51164 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6972175 | 0.90 | TAAR1 (0.40) | GRIN2BHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6970991 | 0.84 | GRIN2B (0.51) | GRIN2BHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6967752 | 0.83 | GRIN2B (0.42) | GRIN2BGRIN1ATP4AATP4BGRIN2D | |
| SCHEMBL6974030 | 0.81 | TAAR1 (0.40) | GRIN2BHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6968578 | 0.81 | GRIN2B (0.46) | GRIN2BHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6955812 | 0.78 | GRIN2B (0.55) | GRIN2BTAAR1GRIN1MALT1HSP90AB1 | |
| SCHEMBL6968016 | 0.77 | GRIN2B (0.37) | GRIN2BTAAR1GRIN1ATP4AATP4B | |
| SCHEMBL2105133 | 0.76 | PNMT (0.43) | TAAR1CYP3A4 | |
| SCHEMBL9080811 | 0.76 | ALDH1A1 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9078769 | 0.76 | CYP19A1 (0.36) | CYP2C9CYP2C19 |
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-0729459-B1 | PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2003-03-12 | — | — | EP | disclosed |
| US-5578616-A | ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS | SCHERING CORPORATION (US) | 1996-11-26 | — | — | US | disclosed |