Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27943916 | 0.86 | EPHX1 (0.48) | ALDH1A1EPHX1CES2CES1TSHR | |
| SCHEMBL29111620 | 0.83 | EPHX1 (0.55) | ALDH1A1EPHX1CES2CES1TSHR | |
| SCHEMBL29111622 | 0.83 | EPHX1 (0.55) | ALDH1A1EPHX1CES2CES1TSHR | |
| SCHEMBL29111625 | 0.83 | EPHX1 (0.55) | ALDH1A1EPHX1CES2CES1TSHR | |
| SCHEMBL27630422 | 0.83 | EPHX1 (0.55) | ALDH1A1EPHX1CES2CES1TSHR | |
| SCHEMBL15810277 | 0.82 | — | — | |
| SCHEMBL28937192 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL13316206 | 0.79 | CHRNB2 (0.39) | ALDH1A1EPHX1TSHRCHRM2CHRM4 | |
| SCHEMBL8529427 | 0.79 | ALDH1A1 (0.61) | ALDH1A1EPHX1CES2CES1HDAC3 | |
| SCHEMBL30568759 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CES2CES1HDAC3HDAC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108342422-B | Preparation method of N-substituted amino carbonyl ester compound and application of immobilized lipase | 北京海美桐医药科技有限公司 | 2020-08-14 | — | — | CN | disclosed |
| CN-108342422-A | The preparation method of N- substituted amido carbonyl ester type compounds and the application of immobilized lipase | 北京海美桐医药科技有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-104662004-B | Novel rebamipide prodrug, method for producing same, and usage thereof | 三进制药株式会社 | 2017-04-19 | — | — | CN | disclosed |
| EP-0873123-A4 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIV PITTSBURGH (US) | 1999-02-03 | — | — | EP | disclosed |
| EP-0873123-A1 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 1998-10-28 | — | — | EP | disclosed |
| WO-1997017070-A1 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 1997-05-15 | — | — | WO | disclosed |