Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 5/20 | 0.55 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.47 |
| ▸ | CNR1 | P21554 | 3/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6870587 | 0.85 | CHRM4 (0.49) | CHRM4TAS1R3TAS1R1CNR1PDE4A | |
| SCHEMBL6868029 | 0.84 | CHRM4 (0.52) | CHRM4TAS1R3TAS1R1CNR1CNR2 | |
| SCHEMBL6872383 | 0.83 | ADORA2A (0.56) | CHRM4PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6873668 | 0.82 | CHRM4 (0.47) | CHRM4TAS1R3TAS1R1CNR1PDE4A | |
| SCHEMBL6863147 | 0.81 | CHRM4 (0.46) | CHRM4TAS1R3TAS1R1CNR1PDE4A | |
| SCHEMBL6870443 | 0.81 | LMNA (0.45) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL6870449 | 0.77 | RAB9A (0.45) | ALDH1A1HPGDMEN1KMT2ALMNA | |
| SCHEMBL6863351 | 0.75 | PLAU (0.47) | CHRM4KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL6871437 | 0.74 | ADORA2A (0.47) | ALDH1A1HPGDHTT | |
| SCHEMBL6868343 | 0.74 | ADORA2A (0.45) | KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |