Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | EDNRB | P24530 | 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 | |
|---|---|---|---|---|
| SCHEMBL4769327 | 0.81 | C5AR1 (0.44) | C5AR1CXCR3BCHEGSK3BKCNH2 | |
| SCHEMBL4771426 | 0.81 | C5AR1 (0.39) | C5AR1CXCR3BCHEPTGDRGSK3B | |
| SCHEMBL649268 | 0.79 | ALDH1A1 (0.33) | C5AR1BCHEMDM2ALDH1A1MAPT | |
| SCHEMBL648898 | 0.79 | LMNA (0.36) | C5AR1ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL651696 | 0.78 | PDE4B (0.36) | MDM2ALDH1A1MAPTTP53NPSR1 | |
| SCHEMBL4764000 | 0.78 | ALDH1A1 (0.42) | C5AR1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL649152 | 0.72 | C5AR1 (0.47) | C5AR1CXCR3KCNH2 | |
| SCHEMBL5136874 | 0.72 | C5AR1 (0.54) | C5AR1CXCR3KCNH2 | |
| SCHEMBL10289127 | 0.72 | BCHE (0.41) | BCHEALDH1A1GAAKDM4ENPC1 | |
| SCHEMBL5134570 | 0.71 | C5AR1 (0.54) | C5AR1CXCR3BCHEALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1322309-B1 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2008-08-13 | — | — | EP | claimed |
| EP-1322309-A4 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2004-10-13 | — | — | EP | claimed |
| EP-1322309-A2 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | Neurogen Corporation (US) | 2003-07-02 | — | — | EP | claimed |
| WO-2002049993-A2 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2002-06-27 | — | — | WO | claimed |