Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | SELL | P14151 | 1/20 | 0.36 |
| ▸ | SELP | P16109 | 1/20 | 0.36 |
| ▸ | SELE | P16581 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | C1S | P09871 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HMBS | P08397 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18432757 | 0.82 | ACHE (0.36) | ALDH1A1ACHE | |
| SCHEMBL3689119 | 0.73 | ALDH1A1 (0.44) | ALDH1A1TSHRTPMTACHESELL | |
| SCHEMBL4032966 | 0.73 | ALDH1A1 (0.44) | ALDH1A1TSHRTPMTACHESELL | |
| SCHEMBL13451543 | 0.73 | — | — | |
| Methyl Alcohol SCHEMBL28397318 | 0.71 | ALDH1A1 (0.64) | ALDH1A1TSHRTPMTACHESELL | |
| Methyl Alcohol SCHEMBL27974355 | 0.71 | ALDH1A1 (0.64) | ALDH1A1TSHRTPMTACHESELL | |
| SCHEMBL1145430 | 0.71 | ALDH1A1 (0.42) | ALDH1A1TSHRTPMTACHESELL | |
| SCHEMBL14252153 | 0.71 | ALDH1A1 (0.42) | ALDH1A1TSHRTPMTACHESELL | |
| SCHEMBL341533 | 0.71 | ALDH1A1 (0.67) | ALDH1A1TSHRTPMTACHESELL | |
| SCHEMBL26115 | 0.71 | — | — |
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-114805148-B | Synthesis method of beta-carbonyl sulfide compound | 陇东学院 | 2024-04-23 | — | — | CN | disclosed |