Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | GNRHR | P30968 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5137131 | 0.97 | C5AR1 (0.41) | C5AR1TSHRHDAC1KDM4EALDH1A1 | |
| SCHEMBL5137586 | 0.96 | C5AR1 (0.40) | C5AR1TSHRHDAC1KDM4EALDH1A1 | |
| SCHEMBL5135016 | 0.95 | C5AR1 (0.41) | C5AR1TSHRHDAC1KDM4EALDH1A1 | |
| SCHEMBL5135670 | 0.93 | C5AR1 (0.43) | C5AR1TSHRHDAC1KDM4EALDH1A1 | |
| SCHEMBL5135688 | 0.91 | C5AR1 (0.45) | C5AR1TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL5137577 | 0.91 | C5AR1 (0.43) | C5AR1TSHRHDAC1KDM4EALDH1A1 | |
| SCHEMBL5136224 | 0.90 | C5AR1 (0.41) | C5AR1TSHRHDAC1KDM4EALDH1A1 | |
| SCHEMBL5074315 | 0.90 | C5AR1 (0.40) | C5AR1TSHRHDAC1KDM4EALDH1A1 | |
| SCHEMBL648787 | 0.90 | C5AR1 (0.42) | C5AR1TSHRHDAC1KDM4EALDH1A1 | |
| SCHEMBL649835 | 0.90 | P2RX7 (0.43) | C5AR1TSHRHDAC1KDM4EALDH1A1 |
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 |