Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4766609 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HPGDMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5137552 | 0.81 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL14099478 | 0.78 | ALDH1A1 (0.64) | ALDH1A1HPGDMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5134630 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HPGDMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5137118 | 0.75 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5136876 | 0.74 | ALDH1A1 (0.59) | ALDH1A1HPGDMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5136192 | 0.74 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL5136157 | 0.72 | TSHR (0.59) | ALDH1A1MAPTSMN1; SMN2KMT2AMAPK1 | |
| SCHEMBL4766559 | 0.71 | ALDH1A1 (0.55) | ALDH1A1HPGDMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL6987023 | 0.70 | USP2 (0.49) | ALDH1A1HPGDMAPTSMN1; SMN2NPSR1 |
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 |