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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL3867709 | 0.97 | MAPT (0.43) | MAPTGRM2FFAR4PLA2G2AMETAP2 | |
| SCHEMBL3866785 | 0.96 | MAPT (0.42) | MAPTGRM2FFAR4PLA2G2AMETAP2 | |
| Potassium SCHEMBL3869495 | 0.96 | MAPT (0.42) | MAPTGRM2FFAR4PLA2G2AMETAP2 | |
| SCHEMBL3869489 | 0.96 | MAPT (0.42) | MAPTGRM2FFAR4PLA2G2AMETAP2 | |
| SCHEMBL3866778 | 0.96 | MAPT (0.42) | MAPTGRM2FFAR4PLA2G2AMETAP2 | |
| SCHEMBL3870147 | 0.96 | MAPT (0.42) | MAPTGRM2FFAR4PLA2G2AMETAP2 | |
| SCHEMBL3870135 | 0.96 | MAPT (0.42) | MAPTGRM2FFAR4PLA2G2AMETAP2 | |
| Ethylenediamine SCHEMBL3875788 | 0.93 | MAPT (0.40) | MAPTGRM2FFAR4PLA2G2AALDH1A1 | |
| Diethanolamine SCHEMBL3867588 | 0.92 | MAPT (0.38) | MAPTGRM2FFAR4PLA2G2AALDH1A1 | |
| SCHEMBL3877680 | 0.89 | MAPT (0.40) | MAPTALDH1A1HPGDSMN1; SMN2NPSR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090118233-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | MURAI HITOSHI | 2009-05-07 | — | — | US | disclosed |
| EP-2045242-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | Shionogi&Co., Ltd. (JP) | 2009-04-08 | — | — | EP | disclosed |
| EP-1541558-B1 | HETEROCYCLIC COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-7358249-B2 | Heterocyclic compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2008-04-15 | — | — | US | disclosed |
| US-20060247212-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | MURAI HITOSHI | 2006-11-02 | — | — | US | disclosed |
| US-20060128669-A1 | Heterocyclic compounds having inhibitory activity against hiv integrase | SHIONOGI & CO., LTD. (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1541558-A1 | HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2005-06-15 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090118233-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | CYP3A7, CDK7, CYP2A7 | MAPT 4308/4885GRM2 4122/4885FFAR4 4165/4885 |
| US-20060247212-A1 | Heterocyclic compounds having inhibitory activity against HIV integrase | CYP3A7, CDK7, CYP2A7 | MAPT 4304/4885GRM2 4144/4885FFAR4 4182/4885 |
| US-20060128669-A1 | Heterocyclic compounds having inhibitory activity against hiv integrase | CYP3A7, CDK7, CYP2A7 | MAPT 4308/4885GRM2 4122/4885FFAR4 4165/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.