Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28091848 | 0.81 | DPP4 (0.53) | DPP4ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL3266726 | 0.77 | ALDH1A1 (0.61) | ALDH1A1KDM4EHSD17B10TSHRTAS1R3 | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL28055235 | 0.70 | DPP4 (0.60) | DPP4ALDH1A1KDM4EHSD17B10TTR | |
| SCHEMBL9575014 | 0.69 | DPP4 (0.39) | DPP4ALDH1A1KDM4EHSD17B10TTR | |
| SCHEMBL28460323 | 0.69 | TSHR (0.53) | POLBALDH1A1KDM4EHTTTSHR | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL29365114 | 0.68 | DPP4 (0.62) | DPP4ALDH1A1KDM4EHSD17B10TTR | |
| SCHEMBL1313390 | 0.68 | ALDH1A1 (0.61) | DPP4ALDH1A1KDM4EHSD17B10TTR | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL117071 | 0.68 | DPP4 (0.62) | DPP4ALDH1A1KDM4EHSD17B10TTR | |
| SCHEMBL11220029 | 0.67 | POLB (0.48) | POLBALDH1A1KDM4EGAAHTT | |
| 2,3,6-Trichlorobenzoic Acid SCHEMBL28587836 | 0.67 | DPP4 (0.50) | DPP4ALDH1A1KDM4EHSD17B10TTR |
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-107827735-B | Synthetic method of 2-hydroxy-3, 6-dichlorobenzoic acid | 江苏联化科技有限公司 | 2021-07-30 | — | — | CN | disclosed |