Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | RBP4 | P02753 | 4/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2154401 | 0.83 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCA2RBP4 | |
| SCHEMBL1148444 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCA2RBP4 | |
| SCHEMBL16254837 | 0.78 | TDP1 (0.42) | ALDH1A1TDP1TSHRCA2RBP4 | |
| SCHEMBL9712354 | 0.77 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRCA2RBP4 | |
| SCHEMBL31028133 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| SCHEMBL7537141 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCA2RBP4 | |
| SCHEMBL30663932 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCA2RBP4 | |
| SCHEMBL360806 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCA2RBP4 | |
| SCHEMBL39249 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| SCHEMBL5325990 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRCA2RBP4 |
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-103087022-B | Oxalyl-substituted-3-aryltetronate compounds, and preparations and applications thereof | UNIV NANKAI | 2015-06-10 | — | — | CN | disclosed |