Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4746486 | 0.92 | ADRA2A (0.42) | ESR1ESR2MEN1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL4749089 | 0.90 | ADRA2A (0.41) | ESR1ESR2MEN1ALDH1A1CYP1A2 | |
| SCHEMBL4787640 | 0.87 | HTR1B (0.39) | CYP19A1MAPTRAB9ASMN1; SMN2MEN1 | |
| SCHEMBL4788015 | 0.87 | MAOB (0.43) | CYP19A1ALDH1A1ADRA2AADRA2BADRA2C | |
| SCHEMBL4788401 | 0.85 | KDM4E (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19ADRA2A | |
| SCHEMBL4788602 | 0.85 | NISCH (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19ADRA2A | |
| Acetic Acid SCHEMBL4787678 | 0.81 | MAOA (0.42) | SMN1; SMN2ESR1ESR2ALDH1A1CYP1A2 | |
| Acetic Acid SCHEMBL4787766 | 0.81 | OPRM1 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL949042 | 0.76 | KDM4E (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19ADRA2A | |
| Iodide SCHEMBL951481 | 0.75 | KDM4E (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19ADRA2A |
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 3 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 |
| 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 |