Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | IDH2 | P48735 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | GPR39 | O43194 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24326363 | 0.83 | TDP1 (0.46) | TDP1NUDT1HSP90AA1HTR7IDH2 | |
| SCHEMBL24329987 | 0.79 | PLK1 (0.35) | NUDT1PLK1 | |
| SCHEMBL24331435 | 0.77 | HSP90AA1 (0.50) | TDP1NUDT1HSP90AA1HTR7ADORA2A | |
| SCHEMBL10429480 | 0.73 | TDP1 (0.41) | TDP1NUDT1HSD17B10ADORA2AADORA1 | |
| SCHEMBL24298907 | 0.72 | PARP1 (0.38) | — | |
| SCHEMBL24299252 | 0.72 | CYP1A2 (0.40) | TDP1HSD17B10SRC | |
| SCHEMBL10285741 | 0.70 | MAPT (0.46) | TDP1HSD17B10ALDH1A1GAA | |
| SCHEMBL12658527 | 0.69 | TDP1 (0.35) | TDP1HSD17B10ADORA2AADORA1IDH2 | |
| SCHEMBL20008234 | 0.64 | CYP1A2 (0.49) | TDP1NUDT1HSD17B10HSP90AA1ALDH1A1 | |
| SCHEMBL26354524 | 0.63 | NOS2 (0.45) | TDP1HSP90AA1HTR7ALDH1A1TLR8 |
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-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |