Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL6276687 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL9625304 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL21924471 | 0.91 | ALDH1A1 (0.54) | ALDH1A1TRPA1GAAMGAMSI | |
| SCHEMBL5219102 | 0.89 | ALDH1A1 (0.48) | ALDH1A1TRPA1CES2GAAMGAM | |
| SCHEMBL24882784 | 0.89 | GAA (0.48) | ALDH1A1TRPA1CES2GAAMGAM | |
| SCHEMBL22906936 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TRPA1CES2GAAMGAM | |
| SCHEMBL6137569 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TRPA1CES2GAAMGAM | |
| SCHEMBL21901982 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TRPA1CES2GAAMGAM | |
| SCHEMBL9773565 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TRPA1CES2GAAMGAM | |
| SCHEMBL17286168 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TRPA1CES2GAAMGAM |
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-2021155006-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASES AND USES THEREOF | LES LABORATOIRES SERVIER SAS (FR) | 2021-08-05 | — | — | WO | disclosed |