Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | TPI1 | P60174 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | HTR1E | P28566 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29361758 | 0.71 | ALDH1A1 (0.38) | KMT2AMAPTGLALMNAPOLB | |
| SCHEMBL2553972 | 0.71 | EPHX2 (0.46) | EPHX2CDK1TPI1GFERNPC1 | |
| SCHEMBL1546631 | 0.69 | EPHX2 (0.52) | EPHX2CDK1TPI1GFERNPC1 | |
| SCHEMBL15667389 | 0.67 | EPHX2 (0.50) | EPHX2CDK1TPI1GFERNPC1 | |
| SCHEMBL6673604 | 0.67 | EPHX2 (0.42) | EPHX2CDK1TPI1GFERNPC1 | |
| SCHEMBL6013388 | 0.66 | MAPT (0.59) | EPHX2CDK1TPI1GFERNPC1 | |
| Hydrochloric Acid SCHEMBL30362216 | 0.66 | EPHX2 (0.49) | EPHX2CDK1TPI1GFERNPC1 | |
| SCHEMBL15075767 | 0.63 | KDM4E (0.46) | EPHX2CDK1TPI1GFERNPC1 | |
| Formic Acid SCHEMBL6687413 | 0.63 | EPHX2 (0.40) | EPHX2CDK1TPI1GFERNPC1 | |
| SCHEMBL16334263 | 0.63 | SMN1; SMN2 (0.66) | EPHX2CDK1TPI1GFERNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017189528-A1 | CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME | Ecolab USA, Inc. (US) | 2017-11-02 | — | — | WO | claimed |
| US-20170306504-A1 | CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME | CHAMPIONX LLC | 2017-10-26 | — | — | US | claimed |
| CN-113884668-A | Application of pyrimidine-related metabolites in feces in hepatic fibrosis and liver cirrhosis | 复旦大学附属中山医院 | 2022-01-04 | — | — | CN | disclosed |
| WO-2017189528-A1 | CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME | Ecolab USA, Inc. (US) | 2017-11-02 | — | — | WO | disclosed |
| US-20170306504-A1 | CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME | CHAMPIONX LLC | 2017-10-26 | — | — | US | disclosed |
| WO-2009089677-A1 | THEOBROMINE PRODUCTION PROCESS | PERRIGO TRADING (SHANGHAI) CO., LTD. (CN) | 2009-07-23 | — | — | WO | disclosed |