Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LIPE | Q05469 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PREP | P48147 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3864756 | 1.00 | HTT (0.53) | HTTLIPEALDH1A1CA12CA1 | |
| SCHEMBL15075131 | 0.86 | ALDH1A1 (0.62) | HTTALDH1A1LMNASMN1; SMN2MEN1 | |
| SCHEMBL15075162 | 0.86 | ALDH1A1 (0.62) | HTTALDH1A1LMNASMN1; SMN2MEN1 | |
| Tert-Butyl Formate SCHEMBL28112906 | 0.86 | CTSL (0.44) | LIPEALDH1A1LMNASMN1; SMN2DPP4 | |
| SCHEMBL5647759 | 0.85 | LIPE (0.49) | HTTLIPEALDH1A1CA12CA1 | |
| SCHEMBL5115089 | 0.85 | GAA (0.52) | HTTLIPEALDH1A1CA12CA1 | |
| SCHEMBL9523945 | 0.84 | ALDH1A1 (0.50) | LIPEALDH1A1LMNASMN1; SMN2EPHX1 | |
| SCHEMBL31408148 | 0.82 | LIPE (0.47) | HTTLIPEALDH1A1CA12CA1 | |
| SCHEMBL3673656 | 0.82 | ALDH1A1 (0.49) | HTTLIPEALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL7138245 | 0.81 | ALDH1A1 (0.48) | LIPEALDH1A1SMN1; SMN2GAAPREP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2556066-A1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2013-02-13 | — | — | EP | disclosed |
| WO-2011124580-A1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-13 | — | — | WO | disclosed |