Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | EDNRB | P24530 | 4/20 | 0.40 |
| ▸ | EDNRA | P25101 | 4/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.40 |
| ▸ | WDR5 | P61964 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL1792921 | 0.83 | WDR5 (0.40) | EDNRBEDNRAWDR5ALDH1A1TSHR | |
| SCHEMBL1150461 | 0.81 | CA2 (0.48) | CA2 | |
| SCHEMBL25053095 | 0.79 | EDNRB (0.48) | EDNRBEDNRAWDR5ALDH1A1TSHR | |
| SCHEMBL29738016 | 0.78 | CA1 (0.40) | CA2EDNRBEDNRAWDR5ALDH1A1 | |
| SCHEMBL2585091 | 0.78 | CA1 (0.40) | CA2EDNRBEDNRAWDR5ALDH1A1 | |
| SCHEMBL2556103 | 0.77 | EDNRB (0.37) | EDNRBEDNRAWDR5ALDH1A1TSHR | |
| SCHEMBL2594694 | 0.76 | TSHR (0.37) | CA2EDNRBEDNRAWDR5ALDH1A1 | |
| SCHEMBL7376519 | 0.76 | CYP2A6 (0.39) | EDNRBEDNRAWDR5TSHRGLA | |
| SCHEMBL5663968 | 0.76 | ADRA1D (0.41) | CA2PIK3CG | |
| SCHEMBL5269174 | 0.75 | PTGS2 (0.39) | WDR5ALDH1A1MAPK1TSHR |
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-2011123937-A1 | KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | UNIVERSITY HEALTH NETWORK (CA) | 2011-10-13 | — | — | WO | disclosed |