Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30898355 | 0.88 | KIF11 (0.48) | KIF11CYP3A4CYP3A5HSD11B1CYP11B1 | |
| SCHEMBL3919252 | 0.88 | KIF11 (0.48) | KIF11CYP3A4CYP3A5HSD11B1CYP11B1 | |
| SCHEMBL1348538 | 0.78 | KCNH2 (0.49) | HTTCYP3A4CYP3A5HSD11B1KCNH2 | |
| SCHEMBL19464679 | 0.76 | HDAC3 (0.39) | HTTCYP3A4CYP3A5HSD11B1HTR2A | |
| SCHEMBL18648002 | 0.76 | HDAC3 (0.39) | HTTCYP3A4CYP3A5HSD11B1HTR2A | |
| SCHEMBL17186902 | 0.75 | CYP3A4 (0.45) | CYP3A4CYP3A5HSD11B1HTR2AHDAC3 | |
| SCHEMBL22544183 | 0.75 | CYP3A4 (0.45) | CYP3A4CYP3A5HSD11B1HDAC3HDAC1 | |
| SCHEMBL28707287 | 0.74 | CYP3A4 (0.46) | KIF11HTTCYP3A4CYP3A5HSD11B1 | |
| SCHEMBL1690351 | 0.74 | HDAC3 (0.42) | HTTCYP3A4CYP3A5HSD11B1HTR2A | |
| 2,4-Dichlorofluorobenzene SCHEMBL27973776 | 0.74 | TSHR (0.49) | HTTCYP3A4HTR2ASLC6A4KCNH2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109810572-A | Inorganic nano material prints ink and its preparation method and application | 深圳TCL工业研究院有限公司 | 2019-05-28 | — | — | CN | claimed |
| CN-109810567-A | Inorganic nano material prints ink and its preparation method and application | TCL集团股份有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-109810568-A | Inorganic nano material prints ink and its preparation method and application | TCL集团股份有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-109810572-A | Inorganic nano material prints ink and its preparation method and application | 深圳TCL工业研究院有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-109810574-A | Inorganic nano material prints ink and its preparation method and application | 深圳TCL工业研究院有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-109810571-A | Inorganic nano material prints ink and its preparation method and application | TCL集团股份有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-109810573-A | Inorganic nano material prints ink and its preparation method and application | TCL集团股份有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-109810570-A | Inorganic nano material prints ink and its preparation method and application | TCL集团股份有限公司 | 2019-05-28 | — | — | CN | disclosed |