Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | SELL | P14151 | 1/20 | 0.42 |
| ▸ | SELP | P16109 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA7 | P43166 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31401837 | 1.00 | CYP1A2 (0.68) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| Mellitic Acid SCHEMBL2426221 | 0.82 | CYP1A2 (0.58) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL4659349 | 0.82 | CYP1A2 (0.59) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL28506429 | 0.82 | CYP1A2 (0.59) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL29767339 | 0.82 | CYP1A2 (0.59) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL29417502 | 0.82 | CYP1A2 (1.00) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL22122 | 0.82 | CYP1A2 (1.00) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL5947642 | 0.80 | CYP1A2 (0.64) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL31115305 | 0.80 | CYP1A2 (0.64) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| Water SCHEMBL714855 | 0.79 | CYP1A2 (0.93) | CYP1A2ALDH1A1ALOX15HSD17B10SELL |
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-115954444-A | Preparation method of naphthyl polycarboxylate organic material and application of naphthyl polycarboxylate organic material in metal ion battery | 中国科学院深圳先进技术研究院 | 2023-04-11 | — | — | CN | claimed |