Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 5/20 | 0.32 |
| ▸ | CA1 | P00915 | 5/20 | 0.32 |
| ▸ | CA2 | P00918 | 5/20 | 0.32 |
| ▸ | CA9 | Q16790 | 5/20 | 0.32 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.32 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | GSDMD | P57764 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.30 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 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 | |
|---|---|---|---|---|
| SCHEMBL10768078 | 1.00 | — | — | |
| SCHEMBL285140 | 1.00 | FFAR3 (0.43) | FFAR3ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL300185 | 1.00 | FFAR3 (0.43) | FFAR3ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL111807 | 1.00 | — | — | |
| Ethane SCHEMBL5581157 | 0.95 | FFAR3 (0.40) | FFAR3ALDH1A1CYP3A4TDP1TSHR | |
| Fluoride SCHEMBL11039310 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL18185340 | 0.95 | FFAR3 (0.40) | FFAR3ALDH1A1CYP3A4TDP1TSHR | |
| Methane SCHEMBL9008507 | 0.95 | FFAR3 (0.40) | FFAR3ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL4165623 | 0.95 | FFAR3 (0.40) | FFAR3ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL28959747 | 0.95 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113004177-B | Continuous production method of 3-mercaptopropionic acid alkyl ester and 3,3' -dithiodipropionic acid dialkyl ester | 靳浩田 | 2023-12-01 | — | — | CN | claimed |
| CN-113004177-B | Continuous production method of 3-mercaptopropionic acid alkyl ester and 3,3' -dithiodipropionic acid dialkyl ester | 靳浩田 | 2023-12-01 | — | — | CN | disclosed |
| CN-112543776-A | Polymerizable composition and optical material prepared from same | SKC株式会社 | 2021-03-23 | — | — | CN | disclosed |