Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KLK3 | P07288 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4666860 | 0.80 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL4665241 | 0.75 | DHODH (0.54) | KEAP1NFE2L2MAPTTP53FABP3 | |
| SCHEMBL23809593 | 0.66 | MAP4K4 (0.62) | WDR5MAP4K4GABRA1GABRG2GABRB3 | |
| SCHEMBL4667871 | 0.65 | NOTUM (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL4666632 | 0.64 | MAP4K4 (0.50) | SMN1; SMN2WDR5MAP4K4GABRA1GABRG2 | |
| SCHEMBL30469319 | 0.63 | RXRA (0.57) | ALDH1A1WDR5MAP4K4GABRA1GABRG2 | |
| SCHEMBL20557906 | 0.63 | RXRA (0.57) | ALDH1A1WDR5MAP4K4GABRA1GABRG2 | |
| SCHEMBL2409415 | 0.62 | DHODH (0.53) | WDR5MAP4K4GABRA1GABRG2GABRB3 | |
| SCHEMBL8252632 | 0.62 | GABRA1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL13975280 | 0.62 | KLK3 (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2MAP4K4 |
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-1928455-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | Bayer Healthcare, LLC (US) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007027842-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | BAYER HEALTHCARE LLC (US) | 2007-03-08 | — | — | WO | disclosed |
| WO-2007027842-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | BAYER HEALTHCARE LLC (US) | 2007-03-08 | — | — | WO | disclosed |