Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.59 |
| ▸ | ACHE | P22303 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL145855 | 0.97 | ALDH1A1 (0.62) | ALDH1A1ACHECYP3A4TSHRMAPK1 | |
| SCHEMBL12501 | 0.90 | ALDH1A1 (0.73) | ALDH1A1ACHECYP3A4TSHRMAPK1 | |
| SCHEMBL4342018 | 0.86 | ALDH1A1 (0.50) | ALDH1A1ACHECYP3A4TSHRMAPK1 | |
| SCHEMBL879948 | 0.84 | ALDH1A1 (0.60) | ALDH1A1ACHECYP3A4TSHRMAPK1 | |
| SCHEMBL16707188 | 0.84 | ALDH1A1 (0.48) | ALDH1A1ACHECYP3A4TSHRMAPK1 | |
| SCHEMBL2952197 | 0.82 | ALDH1A1 (0.53) | ALDH1A1ACHECYP3A4PTPN1CYP1A1 | |
| SCHEMBL154259 | 0.82 | ALDH1A1 (0.46) | ALDH1A1ACHECYP3A4TSHRMAPK1 | |
| SCHEMBL25062001 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ACHECYP3A4TSHRMAPK1 | |
| SCHEMBL388119 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ACHECYP3A4TSHRMAPK1 | |
| SCHEMBL11885 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ACHECYP3A4TSHRMAPK1 |
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-114478337-A | Axial chiral sulfur-containing diaryl derivative and synthesis method thereof | 安徽泽升科技有限公司上海分公司 | 2022-05-13 | — | — | CN | disclosed |