Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | MAPT | P10636 | 6/20 | 0.61 |
| ▸ | RAB9A | P51151 | 8/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.44 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL1821288 | 0.79 | ALDH1A1 (0.83) | ALDH1A1MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL1913687 | 0.76 | MAPT (1.00) | ALDH1A1MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL3869440 | 0.74 | MAPT (0.79) | ALDH1A1MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL28240672 | 0.74 | MAPT (0.79) | ALDH1A1MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL4665900 | 0.72 | ADORA1 (0.51) | MAPTTP53 | |
| SCHEMBL4667040 | 0.71 | ADORA1 (0.42) | ALDH1A1MAPTKDM4ENR3C2TP53 | |
| SCHEMBL1143383 | 0.69 | CYP1A2 (0.62) | ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL4665083 | 0.69 | MAPT (0.46) | ALDH1A1MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL27836791 | 0.69 | ALDH1A1 (0.51) | ALDH1A1MAPTKMT2ACYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL11473767 | 0.68 | CYP1A2 (0.61) | ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1 |
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 |