Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1848023 | 0.86 | ALDH1A1 (0.42) | TRPA1MAOAMAOBALDH1A1MAPK1 | |
| SCHEMBL13653527 | 0.77 | MAOA (0.48) | MAOAMAOBALDH1A1MAPK1FFAR1 | |
| SCHEMBL32672505 | 0.75 | TRPA1 (0.43) | TRPA1MAOAMAOBALDH1A1MAPK1 | |
| SCHEMBL2951282 | 0.74 | MAPT (0.40) | ALDH1A1MAPK1SMN1; SMN2PKMMAPT | |
| SCHEMBL22338588 | 0.73 | ALDH1A1 (0.35) | TRPA1ALDH1A1SMN1; SMN2PKMGAA | |
| SCHEMBL19309369 | 0.73 | ALDH1A1 (0.39) | TRPA1MAOAMAOBALDH1A1MAPK1 | |
| SCHEMBL9052050 | 0.71 | TRPA1 (0.42) | TRPA1MAOAMAOBALDH1A1MAPK1 | |
| SCHEMBL27804817 | 0.71 | SMN1; SMN2 (0.40) | MAOAMAOBALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL11035808 | 0.71 | ANPEP (0.39) | ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL6845929 | 0.70 | ALDH1A1 (0.42) | MAOAMAOBALDH1A1MAPK1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61176580-A | — | — | None | — | — | JP | disclosed |
| CN-116283689-B | Method for preparing thioester compound by alkene carbonylation thioesterification reaction | 中国科学院兰州化学物理研究所 | 2023-10-31 | — | — | CN | disclosed |
| CN-116283689-A | Method for preparing thioester compound by alkene carbonylation thioesterification reaction | 中国科学院兰州化学物理研究所 | 2023-06-23 | — | — | CN | disclosed |
| JP-S61176580-A | PRODUCTION OF OPTICALLY ACTIVE 3,4-EPOXY-1-BUTANOL | MITSUI TOATSU CHEM INC | 1986-08-08 | — | — | JP | disclosed |