Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | CTSB | P07858 | 1/20 | 0.61 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.55 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL57166 | 0.93 | TDP1 (1.00) | TDP1ALDH1A1CTSBGPR35GAA | |
| SCHEMBL29475175 | 0.93 | TDP1 (1.00) | TDP1ALDH1A1CTSBGPR35GAA | |
| SCHEMBL28093598 | 0.90 | TDP1 (0.95) | TDP1ALDH1A1CTSBGPR35GAA | |
| SCHEMBL2769398 | 0.85 | CTSB (0.78) | TDP1ALDH1A1CTSBGPR35GAA | |
| SCHEMBL5728848 | 0.85 | TDP1 (0.75) | TDP1ALDH1A1CTSBGPR35GAA | |
| SCHEMBL8108179 | 0.82 | TDP1 (0.64) | TDP1ALDH1A1CTSBGPR35GAA | |
| SCHEMBL7788656 | 0.82 | TDP1 (0.80) | TDP1ALDH1A1CTSBGAAPOLB | |
| Methyl Alcohol SCHEMBL27808930 | 0.82 | HSD17B10 (0.65) | TDP1ALDH1A1GPR35SMN1; SMN2TSHR | |
| SCHEMBL28158963 | 0.82 | ALDH1A1 (0.96) | TDP1ALDH1A1CTSBGPR35GAA | |
| SCHEMBL26059158 | 0.81 | TDP1 (0.69) | TDP1ALDH1A1CTSBGPR35GAA |
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-106238099-B | The preparation method and application of 1,5- dinitronaphthalene hydrogenation catalyst | 常州大学 | 2019-07-09 | — | — | CN | disclosed |