Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 2/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.43 |
| ▸ | CDC25C | P30307 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3400011 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HSD17B10KDM4EMAPK1L3MBTL1 | |
| SCHEMBL3405737 | 0.78 | MAPK1 (0.59) | ALDH1A1HSD17B10KDM4EMAPK1L3MBTL1 | |
| SCHEMBL3402362 | 0.76 | MAPK1 (0.51) | ALDH1A1HSD17B10KDM4EMAPK1L3MBTL1 | |
| SCHEMBL3402302 | 0.74 | CDC25B (0.46) | ALDH1A1HSD17B10KDM4EMAPK1L3MBTL1 | |
| SCHEMBL7987898 | 0.72 | CYP19A1 (0.56) | ALDH1A1HSD17B10KDM4EL3MBTL1KMT2A | |
| SCHEMBL7988458 | 0.71 | GABRA2 (0.49) | ALDH1A1HSD17B10KDM4EMAPK1L3MBTL1 | |
| SCHEMBL3401425 | 0.71 | TDP1 (0.50) | ALDH1A1HSD17B10KDM4EMAPK1L3MBTL1 | |
| SCHEMBL4072424 | 0.69 | CDC25B (0.68) | ALDH1A1HSD17B10KDM4EKMT2AFNTA | |
| SCHEMBL5554927 | 0.68 | KDM4E (0.48) | ALDH1A1HSD17B10KDM4EMAPK1L3MBTL1 | |
| SCHEMBL2129231 | 0.68 | CDC25B (0.62) | ALDH1A1HSD17B10KDM4EMAPK1L3MBTL1 |
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-1848428-A2 | THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006089076-A9 | THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES | NEUROGEN CORP (US) | 2007-04-26 | — | — | WO | disclosed |
| WO-2006089076-A2 | THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2006-08-24 | — | — | WO | disclosed |