Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15824911 | 0.73 | TSHR (0.42) | ALDH1A1RECQLHSD17B10CA12CA2 | |
| SCHEMBL25697637 | 0.71 | CA12 (0.45) | ALDH1A1RECQLHSD17B10CA12CA2 | |
| SCHEMBL28379149 | 0.71 | CA1 (0.46) | ALDH1A1RECQLCA12CA2CA1 | |
| SCHEMBL28391039 | 0.68 | ALDH1A1 (0.38) | ALDH1A1RECQLHSD17B10CA12CA2 | |
| SCHEMBL153943 | 0.68 | TSHR (0.67) | ALDH1A1RECQLHSD17B10CA12CA2 | |
| SCHEMBL514428 | 0.67 | — | — | |
| SCHEMBL13690242 | 0.67 | KIF11 (0.44) | ALDH1A1RECQLHSD17B10CA12CA2 | |
| SCHEMBL19454531 | 0.66 | CA12 (0.32) | ALDH1A1RECQLHSD17B10CA12CA2 | |
| SCHEMBL21303064 | 0.66 | TSHR (0.43) | ALDH1A1RECQLHSD17B10CA12CA2 | |
| SCHEMBL18181109 | 0.65 | APP (0.39) | ALDH1A1RECQLHSD17B10CA12CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017191098-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-11-09 | — | — | WO | disclosed |