Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.52 |
| ▸ | TXNRD3 | Q86VQ6 | 2/20 | 0.52 |
| ▸ | TXNRD2 | Q9NNW7 | 2/20 | 0.52 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3303851 | 0.85 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| SCHEMBL11158154 | 0.84 | ALDH1A1 (0.60) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| SCHEMBL13767769 | 0.84 | ALDH1A1 (0.60) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| SCHEMBL203753 | 0.82 | ERN1 (0.59) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| SCHEMBL6410654 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| SCHEMBL3303847 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| SCHEMBL3870954 | 0.81 | ALDH1A1 (0.61) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| SCHEMBL30929373 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| SCHEMBL28467260 | 0.79 | S100A4 (0.45) | ALDH1A1TDP1MAPK1MAPTKMT2A | |
| SCHEMBL19623140 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TDP1MAPK1MAPTKMT2A |
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-105001094-A | 5- (1-chloro-2- (2, 4-dinitrophenyl) ethenyl) -1,2, 3-trimethoxy benzene compound and preparation method thereof | JIANGSU XINHUAI RIVER PHARMTECH CO LTD | 2015-10-28 | — | — | CN | claimed |