Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.43 |
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1013253 | 0.84 | CYP1A2 (0.61) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL27702044 | 0.84 | CNR2 (0.46) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL2474225 | 0.83 | RAB9A (0.58) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL18925837 | 0.81 | NPC1 (0.54) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL11687153 | 0.81 | POLB (0.43) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL6350912 | 0.77 | CYP1A2 (0.70) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL4665822 | 0.76 | CA12 (0.46) | CYP1A2CYP2C19MAPK1CA12CA1 | |
| SCHEMBL1012922 | 0.72 | MAPK13 (0.48) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| SCHEMBL2899043 | 0.72 | ALDH1A1 (0.56) | RAB9ASMN1; SMN2CYP1A2MAPK1CA12 | |
| SCHEMBL2029110 | 0.72 | ALDH1A1 (0.47) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 |
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 |