Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | LIPE | Q05469 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | FOS | P01100 | 1/20 | 0.39 |
| ▸ | JUN | P05412 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7237362 | 0.88 | ADORA3 (0.38) | HDAC4ADORA3BCHEACHELIPE | |
| SCHEMBL7228763 | 0.79 | DPP4 (0.44) | HDAC4ADORA3KDM1A | |
| SCHEMBL7227674 | 0.75 | ADORA3 (0.58) | HDAC4ADORA3ALDH1A1PTGS2PPARD | |
| SCHEMBL7498088 | 0.74 | NPSR1 (0.47) | ADORA3NPC1ALDH1A1PDE4BPDE4D | |
| SCHEMBL31263139 | 0.73 | EPHX2 (0.49) | NPC1FFAR1 | |
| SCHEMBL21953109 | 0.73 | ADORA3 (0.49) | HDAC4ADORA3NPC1ALDH1A1GAA | |
| SCHEMBL7502894 | 0.73 | PDE10A (0.48) | ACHELIPENPC1ALDH1A1PDE4B | |
| SCHEMBL7498343 | 0.72 | NPSR1 (0.46) | ADORA3PDE4D | |
| SCHEMBL7507216 | 0.72 | PDE4B (0.46) | NPC1ALDH1A1GAAPDE4BPDE4D | |
| SCHEMBL7230333 | 0.71 | SYK (0.35) | HDAC4GAAGRIN1GRIN2BHDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6620817-B1 | Antiinflammatory, antiarthritic agents; autoimmune and rheumatic diseases | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| EP-1236721-A1 | 5-CHLORO-6-PHENYL-2-(4-TRIFLUOROMETHYLPHENYL)-4-PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATE OF THESE COMPOUNDS | Dainippon Pharmaceutical Co., Ltd. (JP) | 2002-09-04 | — | — | EP | disclosed |