Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.33 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.33 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | CASP9 | P55211 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30821409 | 0.74 | PARP1 (0.57) | TSHRDYRK1ACA12CA9PARP1 | |
| SCHEMBL3890285 | 0.72 | TSHR (0.50) | TSHRDYRK1ACA12CA9PARP1 | |
| SCHEMBL29923749 | 0.72 | NOS3 (0.39) | — | |
| SCHEMBL29923296 | 0.71 | TSHR (0.49) | TSHRDYRK1ACA12CA9PARP1 | |
| SCHEMBL6124153 | 0.69 | TSHR (0.53) | TSHRDYRK1ACA12CA9PARP1 | |
| SCHEMBL18765873 | 0.67 | TSHR (0.57) | TSHRDYRK1ACA12CA9PARP1 | |
| SCHEMBL29676731 | 0.67 | TSHR (0.57) | TSHRDYRK1ACA12CA9PARP1 | |
| SCHEMBL29923555 | 0.65 | BCAT2 (0.48) | — | |
| SCHEMBL4071971 | 0.64 | PKN1 (0.54) | TSHRDYRK1APKN1PKN2BRD4 | |
| SCHEMBL21591323 | 0.64 | TSHR (0.53) | TSHRDYRK1ACA12CA9PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4055013-A1 | WDR5 INHIBITORS AND MODULATORS | Vanderbilt University (US) | 2022-09-14 | — | — | EP | disclosed |