Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | ACHE | P22303 | 5/20 | 0.50 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | SELL | P14151 | 1/20 | 0.44 |
| ▸ | SELP | P16109 | 1/20 | 0.44 |
| ▸ | SELE | P16581 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | C1S | P09871 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11599640 | 0.95 | ALDH1A1 (0.57) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL341533 | 0.94 | ALDH1A1 (0.67) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL26115 | 0.94 | — | — | |
| SCHEMBL2380926 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL23202758 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL25401798 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL23202757 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL432597 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL15228210 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL1508331 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSELL |
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-115636721-B | Method for preparing 1, 4-butanediol and co-producing 1, 3-butanediol | 万华化学集团股份有限公司 | 2023-10-13 | — | — | CN | claimed |
| CN-115636721-A | Method for preparing 1, 4-butanediol and co-producing 1, 3-butanediol | 万华化学集团股份有限公司 | 2023-01-24 | — | — | CN | claimed |
| CN-112638985-B | Fluorine-containing aromatic polymer and method for producing same | 大金工业株式会社 | 2024-03-15 | — | — | CN | disclosed |
| CN-115636721-B | Method for preparing 1, 4-butanediol and co-producing 1, 3-butanediol | 万华化学集团股份有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-115636721-A | Method for preparing 1, 4-butanediol and co-producing 1, 3-butanediol | 万华化学集团股份有限公司 | 2023-01-24 | — | — | CN | disclosed |