Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1804931 | 0.83 | TDP1 (0.46) | TDP1ALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL5195722 | 0.79 | TDP1 (0.43) | TDP1ALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL17711573 | 0.77 | HDAC8 (0.43) | TDP1ALDH1A1SMN1; SMN2MAPK1MAPT | |
| SCHEMBL4457363 | 0.76 | TDP1 (0.61) | TDP1ALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL2495982 | 0.76 | TDP1 (0.54) | TDP1ALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL172358 | 0.74 | ALDH1A1 (0.77) | TDP1ALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL13776661 | 0.74 | ALDH1A1 (0.77) | TDP1ALDH1A1TSHRHSD17B10CYP3A4 | |
| Methane SCHEMBL28523284 | 0.74 | TDP1 (0.52) | TDP1ALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL94935 | 0.74 | ALDH1A1 (0.77) | TDP1ALDH1A1TSHRHSD17B10CYP3A4 | |
| Hydrochloric Acid SCHEMBL17710412 | 0.74 | TDP1 (0.52) | TDP1ALDH1A1TSHRHSD17B10CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114149353-A | N-alkyl/N-aryl thioamide derivatives and synthesis method and application thereof | 华东师范大学 | 2022-03-08 | — | — | CN | disclosed |