Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.63 |
| ▸ | ADK | P55263 | 2/20 | 0.63 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | DDO | Q99489 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NCOA2 | Q15596 | 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 | |
|---|---|---|---|---|
| SCHEMBL28438445 | 0.88 | GSK3B (0.51) | GSK3BADKSLC22A6ALDH1A1HSD17B10 | |
| SCHEMBL9264435 | 0.82 | KDM4E (0.49) | GSK3BADKALDH1A1HSD17B10DAO | |
| SCHEMBL6471859 | 0.82 | GSK3B (0.59) | GSK3BADKSLC22A6ALDH1A1HSD17B10 | |
| SCHEMBL28112445 | 0.81 | GSK3B (0.57) | GSK3BADKSLC22A6ALDH1A1HSD17B10 | |
| SCHEMBL8087793 | 0.81 | GSK3B (0.57) | GSK3BADKSLC22A6HSD17B10HTT | |
| SCHEMBL7459854 | 0.79 | KDM4E (0.58) | GSK3BADKSLC22A6ALDH1A1HSD17B10 | |
| SCHEMBL6526599 | 0.79 | GSK3B (0.56) | GSK3BADKSLC22A6ALDH1A1HSD17B10 | |
| SCHEMBL11667064 | 0.77 | GSK3B (0.54) | GSK3BADKSLC22A6ALDH1A1HSD17B10 | |
| SCHEMBL2006899 | 0.77 | AHR (0.57) | ALDH1A1HSD17B10AHRDAODDO | |
| SCHEMBL27908888 | 0.77 | KEAP1 (0.47) | GSK3BADKALDH1A1HTTMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105308024-A | Bicyclic nitrogen-containing aromatic heterocyclic amide compound | ASTELLAS PHARMA INC | 2016-02-03 | — | — | CN | disclosed |
| EP-0555537-B1 | Endothelin antagonists | BANYU PHARMA CO LTD (JP) | 2000-11-02 | — | — | EP | disclosed |
| US-5614498-A | OLIGOPEPTIDES, BRONCHDILATORS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-03-25 | — | — | US | disclosed |
| US-5496928-A | Endothelin antagonistic substance | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| EP-0555537-A2 | Endothelin antagonistic substance | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-08-18 | — | — | EP | disclosed |