Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL20921188 | 0.87 | PDK1 (0.39) | TSHRSMN1; SMN2ALDH1A1TDP1EPHX1 | |
| SCHEMBL24993958 | 0.85 | PDK1 (0.38) | EPHX1PDK1 | |
| SCHEMBL24993912 | 0.85 | PDK1 (0.38) | EPHX1PDK1 | |
| SCHEMBL24993917 | 0.85 | PDK1 (0.38) | EPHX1PDK1 | |
| SCHEMBL24992565 | 0.85 | PDK1 (0.38) | EPHX1PDK1 | |
| SCHEMBL24993957 | 0.85 | PDK1 (0.38) | EPHX1PDK1 | |
| SCHEMBL1195725 | 0.78 | TSHR (0.48) | TSHRSMN1; SMN2ALDH1A1TDP1MAPK1 | |
| SCHEMBL8710037 | 0.77 | — | — | |
| SCHEMBL8835691 | 0.77 | — | — | |
| SCHEMBL16379836 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114163302-B | Preparation method of 3-methyl-1, 5-pentanediol | 万华化学集团股份有限公司 | 2023-10-17 | — | — | CN | disclosed |
| CN-113880689-B | Preparation method of 3-methyl-1, 5-pentanediol | 万华化学集团股份有限公司 | 2023-05-30 | — | — | CN | disclosed |
| CN-114163302-A | Preparation method of 3-methyl-1, 5-pentanediol | 万华化学集团股份有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-113880689-A | Preparation method of 3-methyl-1, 5-pentanediol | 万华化学集团股份有限公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-108191648-B | Method for co-production of 3-methyl-1, 5-pentanediol and C1-C6 alcohol | 万华化学集团股份有限公司 | 2021-03-09 | — | — | CN | disclosed |