Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 4/20 | 0.41 |
| ▸ | PDE5A | O76074 | 2/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6616423 | 0.79 | SMPD3 (0.57) | ADORA2BPDE5APDE3BPDE3ACYP1A2 | |
| SCHEMBL6618223 | 0.75 | GCGR (0.44) | ADORA2BPDE5APDE3BPDE3APARP1 | |
| SCHEMBL9194922 | 0.75 | PARP1 (0.47) | PARP1 | |
| SCHEMBL8973274 | 0.75 | SMPD3 (0.52) | ADORA2BPDE5AXDHDHFRMAPT | |
| SCHEMBL6618281 | 0.74 | PDE5A (0.41) | ADORA2BPDE5APDE3BPDE3APARP1 | |
| SCHEMBL811736 | 0.73 | MAPT (0.49) | PARP1CYP1A2CYP2C19KDM4EMEN1 | |
| SCHEMBL5361379 | 0.72 | POLB (0.53) | PARP1ADORA2ACYP1A2CYP2C9KDM4E | |
| SCHEMBL1422649 | 0.72 | BTK (0.44) | ADORA2BPARP1CYP1A2CYP2C19KDM4E | |
| SCHEMBL11314796 | 0.70 | BTK (0.43) | ADORA2BPARP1CYP1A2CYP2C19KDM4E | |
| SCHEMBL6279447 | 0.70 | ALOX15B (0.49) | ADORA2BPDE5APDE3BPDE3AXDH |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1490343-A1 | NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS | Neurogen Corporation (US) | 2004-12-29 | — | — | EP | disclosed |
| EP-1322309-A4 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003082829-A1 | NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2003-10-09 | — | — | WO | disclosed |
| EP-1322309-A2 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | Neurogen Corporation (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002049993-A2 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2002-06-27 | — | — | WO | disclosed |