Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PARL | Q9H300 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL4363071 | 0.83 | KDM4E (0.38) | ALDH1A1RAB9AHTTSMN1; SMN2TSHR | |
| Acetaldehyde SCHEMBL8013889 | 0.79 | F2 (0.37) | ALDH1A1GAASMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL5271513 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPT | |
| SCHEMBL9728466 | 0.78 | TSHR (0.41) | ALDH1A1SMN1; SMN2TSHRMAPTPARL | |
| SCHEMBL27525119 | 0.77 | TSHR (0.40) | ALDH1A1SMN1; SMN2TSHRMAPTPARL | |
| SCHEMBL10499173 | 0.77 | TDP1 (0.42) | ALDH1A1RAB9AHTTSMN1; SMN2TSHR | |
| SCHEMBL6543497 | 0.77 | HSD11B1 (0.50) | ALDH1A1RAB9ASMN1; SMN2TSHRMAPT | |
| SCHEMBL10408130 | 0.77 | THRB (0.42) | ALDH1A1SMN1; SMN2TSHRMAPTCYP2C19 | |
| SCHEMBL27716097 | 0.77 | MAPT (0.41) | ALDH1A1SMN1; SMN2TSHRMAPTPARL | |
| SCHEMBL31228950 | 0.75 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRMAPTHSD11B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114835613-A | Method for preparing (E) -4- (benzenesulfonyl) but-3-enoic acid | 郑州轻工业大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-114835613-A | Method for preparing (E) -4- (benzenesulfonyl) but-3-enoic acid | 郑州轻工业大学 | 2022-08-02 | — | — | CN | disclosed |