Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.30 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8104255 | 0.70 | NOTUM (0.42) | IDO1ALDH1A1L3MBTL1KDM4ENPC1 | |
| SCHEMBL6623237 | 0.70 | ALDH1A1 (0.42) | IDO1ALDH1A1L3MBTL1KDM4ENPC1 | |
| SCHEMBL560128 | 0.68 | ALDH1A1 (0.56) | CD44ALDH1A1L3MBTL1HSD17B10SMN1; SMN2 | |
| SCHEMBL5236188 | 0.67 | IDO1 (0.38) | IDO1CD44ALDH1A1L3MBTL1KDM4E | |
| Hydrochloric Acid SCHEMBL4521251 | 0.66 | ALDH1A1 (0.53) | CD44ALDH1A1L3MBTL1HSD17B10SMN1; SMN2 | |
| Methane SCHEMBL22720568 | 0.66 | ALDH1A1 (0.53) | CD44ALDH1A1L3MBTL1HSD17B10SMN1; SMN2 | |
| SCHEMBL28448451 | 0.64 | ALDH1A1 (0.58) | CD44ALDH1A1L3MBTL1HSD17B10SMN1; SMN2 | |
| SCHEMBL169282 | 0.63 | ALDH1A1 (0.68) | CD44ALDH1A1L3MBTL1KDM4ENPC1 | |
| SCHEMBL29564016 | 0.63 | ALDH1A1 (0.68) | CD44ALDH1A1L3MBTL1KDM4ENPC1 | |
| SCHEMBL15364728 | 0.63 | IMPDH2 (0.51) | CD44ALDH1A1L3MBTL1NPC1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |