Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.75 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | DGKA | P23743 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | BCL9 | O00512 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24099786 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHR | |
| SCHEMBL30568759 | 0.87 | ALDH1A1 (1.00) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL8158 | 0.87 | ALDH1A1 (1.00) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| Fluoride SCHEMBL28212778 | 0.84 | ALDH1A1 (0.94) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL17477083 | 0.84 | ALDH1A1 (0.94) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| Hydrogen Sulfide SCHEMBL28205694 | 0.84 | ALDH1A1 (0.94) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL9556715 | 0.84 | ALDH1A1 (0.94) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL10640242 | 0.84 | ALDH1A1 (0.94) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| Methyl Alcohol SCHEMBL27968813 | 0.84 | ALDH1A1 (0.94) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL27743311 | 0.84 | ALDH1A1 (0.94) | ALDH1A1CES2CES1HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3882248-A1 | DIMETHOXYBENZENE COMPOUND ANALOGS, METHODS FOR ANALYZING SAID COMPOUNDS AND STANDARD PRODUCTS OF SAID COMPOUNDS | Taiho Pharmaceutical Co., Ltd. (JP) | 2021-09-22 | — | — | EP | disclosed |