Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 8/20 | 0.44 |
| ▸ | MAOA | P21397 | 7/20 | 0.44 |
| ▸ | MAOB | P27338 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4788401 | 0.95 | KDM4E (0.44) | NISCHMAOAMAOBKDM4EHTT | |
| Acetic Acid SCHEMBL4787678 | 0.94 | MAOA (0.42) | NISCHMAOAMAOBKDM4EHTT | |
| SCHEMBL4746486 | 0.93 | ADRA2A (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19ADRA2A | |
| Hydrochloric Acid SCHEMBL4749089 | 0.92 | ADRA2A (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19ADRA2A | |
| SCHEMBL949042 | 0.91 | KDM4E (0.52) | NISCHMAOAMAOBKDM4EHTT | |
| Iodide SCHEMBL951481 | 0.89 | KDM4E (0.51) | NISCHMAOAMAOBKDM4EHTT | |
| Acetic Acid SCHEMBL4787766 | 0.89 | OPRM1 (0.41) | NISCHMAOAMAOBKDM4EHTT | |
| SCHEMBL4788615 | 0.87 | PTGIR (0.44) | NISCHMAOAMAOBKDM4EHTT | |
| SCHEMBL4788335 | 0.87 | CYP1A2 (0.48) | NISCHMAOAMAOBKDM4EHTT | |
| SCHEMBL14042569 | 0.86 | HTR1B (0.46) | NISCHMAOAMAOBKDM4EHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008123821-A1 | 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS | ALBIREO AB (SE) | 2008-10-16 | — | — | WO | claimed |
| WO-2008123821-A1 | 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS | ALBIREO AB (SE) | 2008-10-16 | — | — | WO | disclosed |