Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL63935 | 0.88 | — | — | |
| SCHEMBL28378968 | 0.88 | ALDH1A1 (0.39) | CYP2D6DGAT1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL27365051 | 0.85 | ALDH1A1 (0.38) | CYP2D6DGAT1ALDH1A1HDAC3HDAC1 | |
| Fluoride SCHEMBL28284747 | 0.85 | ALDH1A1 (0.38) | CYP2D6DGAT1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL11765164 | 0.85 | ALDH1A1 (0.38) | CYP2D6DGAT1ALDH1A1HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL6270517 | 0.85 | ALDH1A1 (0.38) | CYP2D6DGAT1ALDH1A1HDAC3HDAC1 | |
| Methane SCHEMBL27671750 | 0.85 | ALDH1A1 (0.38) | CYP2D6DGAT1ALDH1A1HDAC3HDAC1 | |
| Alcohol SCHEMBL28984145 | 0.83 | TDP1 (0.36) | CYP2D6DGAT1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL28828316 | 0.81 | ALDH1A1 (0.35) | CYP2D6DGAT1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL27815234 | 0.81 | ALDH1A1 (0.35) | CYP2D6DGAT1ALDH1A1HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113456829-A | Novel hydrophilic linkers and their use in ligand-drug conjugate conjugates | 杭州多禧生物科技有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-107614488-B | Novel hydrophilic linkers and their use in ligand-drug conjugate conjugates | 杭州多禧生物科技有限公司 | 2021-07-16 | — | — | CN | disclosed |