Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| 2,3,6-Trichlorobenzoic Acid SCHEMBL117071 | 0.97 | DPP4 (0.62) | DPP4ALDH1A1KDM4EHSD17B10TSHR | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL29365114 | 0.97 | DPP4 (0.62) | DPP4ALDH1A1KDM4EHSD17B10TSHR | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL28055235 | 0.95 | DPP4 (0.60) | DPP4ALDH1A1KDM4EHSD17B10TSHR | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL10490012 | 0.95 | DPP4 (0.60) | DPP4ALDH1A1KDM4EHSD17B10TSHR | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL166117 | 0.89 | DPP4 (0.54) | DPP4ALDH1A1KDM4EHSD17B10TSHR | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL22031674 | 0.89 | DPP4 (0.54) | DPP4ALDH1A1KDM4EHSD17B10TSHR | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL28587836 | 0.85 | DPP4 (0.50) | DPP4ALDH1A1KDM4EHSD17B10TSHR | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL9328359 | 0.85 | TSHR (0.53) | DPP4ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL486824 | 0.84 | DPP4 (0.71) | DPP4ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL28737172 | 0.81 | DPP4 (0.68) | DPP4ALDH1A1KDM4EHSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-103483260-B | 1-aryl-5-alkylpyrazole derivative compounds, methods of making and methods of use thereof | 梅瑞尔公司 | 2016-08-03 | — | — | CN | disclosed |