Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29954374 | 0.87 | PDK2 (0.43) | PDK2HDAC1HDAC6ALDH1A1ANPEP | |
| SCHEMBL24459633 | 0.84 | KDM4E (0.49) | HDAC1HDAC6ALDH1A1SMN1; SMN2CA9 | |
| SCHEMBL532190 | 0.83 | CES2 (0.53) | PDK2HDAC1HDAC6ALDH1A1CHRM1 | |
| SCHEMBL29925284 | 0.81 | HDAC6 (0.46) | PDK2HDAC1HDAC6SMN1; SMN2 | |
| SCHEMBL20995554 | 0.81 | HDAC6 (0.46) | PDK2HDAC1HDAC6SMN1; SMN2 | |
| SCHEMBL23417941 | 0.80 | ESRRG (0.57) | PDK2HDAC1HDAC6ALDH1A1ANPEP | |
| SCHEMBL5707117 | 0.80 | HDAC1 (0.67) | PDK2HDAC1HDAC6ALDH1A1CHRM1 | |
| SCHEMBL25675525 | 0.80 | MAPK1 (0.54) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL3526745 | 0.79 | HDAC6 (0.49) | PDK2HDAC1HDAC6ALDH1A1ANPEP | |
| SCHEMBL10093232 | 0.79 | HDAC1 (0.65) | PDK2HDAC1HDAC6ALDH1A1ANPEP |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |