Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | WDR5 | P61964 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | KLK3 | P07288 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4666815 | 0.80 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL4666570 | 0.77 | SMN1; SMN2 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL14600673 | 0.75 | DHODH (0.47) | ALDH1A1RAB9AL3MBTL1GABRA1GABRG2 | |
| Hydrochloric Acid SCHEMBL4666221 | 0.73 | DHODH (0.57) | KEAP1NFE2L2MAPTTP53 | |
| SCHEMBL4668988 | 0.73 | DHODH (0.49) | WDR5KEAP1NFE2L2MAPTTEK | |
| SCHEMBL14600674 | 0.73 | DHODH (0.44) | KEAP1NFE2L2MAPTTEKRXRA | |
| SCHEMBL14600681 | 0.70 | DHODH (0.44) | ALDH1A1L3MBTL1KEAP1NFE2L2MAPT | |
| SCHEMBL20557906 | 0.68 | RXRA (0.57) | ALDH1A1WDR5MAP4K4GABRA1GABRG2 | |
| SCHEMBL30469319 | 0.68 | RXRA (0.57) | ALDH1A1WDR5MAP4K4GABRA1GABRG2 | |
| SCHEMBL23809593 | 0.67 | MAP4K4 (0.62) | WDR5MAP4K4GABRA1GABRG2GABRB3 |
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 |