Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1913034 | 0.80 | C5AR1 (0.38) | ALDH1A1HTTC5AR1TSHRAVPR1B | |
| SCHEMBL5135987 | 0.73 | TP53 (0.37) | ALDH1A1HTT | |
| SCHEMBL5137318 | 0.71 | PIN1 (0.36) | ALDH1A1ADRB3HTTKDM4E | |
| SCHEMBL5138076 | 0.71 | AGTR1 (0.36) | — | |
| SCHEMBL653125 | 0.71 | C5AR1 (0.42) | ALDH1A1HTTC5AR1TSHR | |
| SCHEMBL1912884 | 0.70 | C5AR1 (0.37) | ALDH1A1HTTC5AR1TSHRKDM4E | |
| SCHEMBL651033 | 0.70 | C5AR1 (0.44) | ALDH1A1HTTC5AR1TSHRKDM4E | |
| SCHEMBL5136239 | 0.70 | L3MBTL1 (0.34) | ALDH1A1ADRB3HTTPTPN1 | |
| SCHEMBL651356 | 0.70 | C5AR1 (0.41) | ALDH1A1HTTC5AR1TSHRKDM4E | |
| SCHEMBL650100 | 0.70 | C5AR1 (0.40) | ALDH1A1HTTC5AR1TSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1490044-A4 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORP (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1490044-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003084524-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2003-10-16 | — | — | WO | disclosed |