Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 3/20 | 0.33 |
| ▸ | MMP2 | P08253 | 3/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11249175 | 0.98 | ALDH1A1 (0.39) | ALDH1A1BCHEHIF1ATSHRPPARD | |
| SCHEMBL22024102 | 0.80 | ALDH1A1 (0.39) | ALDH1A1BCHEHIF1ACYP3A4HPGD | |
| SCHEMBL21764580 | 0.79 | CYP3A4 (0.48) | TSHRCYP3A4 | |
| SCHEMBL26367006 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TSHRPPARDCYP3A4CA12 | |
| SCHEMBL86162 | 0.78 | ALDH1A1 (0.46) | ALDH1A1BCHEHIF1ATSHRPPARD | |
| SCHEMBL34463659 | 0.75 | TSHR (0.48) | TSHRPPARDTP53TDP1CA12 | |
| SCHEMBL20181441 | 0.75 | BTN3A1 (0.36) | ALDH1A1TSHRPPARDCYP3A4TDP1 | |
| SCHEMBL13385631 | 0.73 | — | — | |
| SCHEMBL10892287 | 0.73 | TP53 (0.48) | ALDH1A1BCHEHIF1ATSHRPPARD | |
| Diethyl Hydrogen Phosphate SCHEMBL16713974 | 0.73 | TSHR (0.40) | TSHRPPARDCYP3A4TP53TDP1 |
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-2023078464-A1 | EPSILON-POLY-L-LYSINE-BASED DRUG CONJUGATE, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 上海弼领生物技术有限公司 | 2023-05-11 | — | — | WO | disclosed |