Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | OXTR | P30559 | 4/20 | 0.41 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136876 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HPGDMAPTGABRA1GABRB2 | |
| SCHEMBL5134630 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HPGDMAPTGABRA1GABRB2 | |
| SCHEMBL4766559 | 0.69 | ALDH1A1 (0.55) | ALDH1A1HPGDMAPTGABRA1GABRB2 | |
| SCHEMBL12320058 | 0.68 | LPAR1 (0.51) | HPGDGABRA1GABRB2OXTRAVPR1A | |
| SCHEMBL5136528 | 0.68 | GABRA1 (0.46) | ALDH1A1HPGDMAPTGABRA1GABRB2 | |
| SCHEMBL5361256 | 0.68 | GABRA1 (0.44) | ALDH1A1HPGDMAPTGABRA1GABRB2 | |
| SCHEMBL14099478 | 0.67 | ALDH1A1 (0.64) | ALDH1A1HPGDMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL4769015 | 0.67 | ALDH1A1 (0.55) | ALDH1A1HPGDMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL5134793 | 0.67 | ALDH1A1 (0.55) | ALDH1A1HPGDMAPTGABRA1GABRB2 | |
| SCHEMBL5137374 | 0.65 | CHRNB2 (0.42) | ALDH1A1SMN1; SMN2LMNATDP1NPSR1 |
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 |