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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL1054149 | 0.96 | NPSR1 (0.44) | NPSR1CYP1A2BRD4ALDH1A1IRAK4 | |
| SCHEMBL30952862 | 0.96 | NPSR1 (0.44) | NPSR1CYP1A2BRD4ALDH1A1IRAK4 | |
| SCHEMBL12432224 | 0.85 | IRAK4 (0.49) | NPSR1CYP1A2BRD4ALDH1A1IRAK4 | |
| SCHEMBL6898745 | 0.83 | KCNH2 (0.46) | NPSR1CYP1A2BRD4ALDH1A1IRAK4 | |
| SCHEMBL25139435 | 0.81 | CYP1A2 (0.42) | NPSR1CYP1A2BRD4KDM4EALOX15 | |
| SCHEMBL9356159 | 0.80 | KDM4E (0.43) | NPSR1CYP1A2BRD4KDM4EALOX15 | |
| SCHEMBL8662483 | 0.80 | KCNH2 (0.43) | NPSR1CYP1A2BRD4ALDH1A1IRAK4 | |
| SCHEMBL20202796 | 0.79 | NPSR1 (0.43) | NPSR1CYP1A2BRD4ALDH1A1IRAK4 | |
| SCHEMBL17192834 | 0.79 | BRD4 (0.46) | NPSR1CYP1A2BRD4ALDH1A1IRAK4 | |
| SCHEMBL4859332 | 0.79 | NPSR1 (0.43) | NPSR1CYP1A2BRD4ALDH1A1IRAK4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7414036-B2 | Compounds useful as A3 adenosine receptor agonists | MUSCAGEN LIMITED (GB) | 2008-08-19 | — | — | US | disclosed |
| US-20050101551-A1 | Compounds useful as A3 adenosine receptor agonists | MUSCAGEN LIMITED (GB) | 2005-05-12 | — | — | US | disclosed |
| WO-2005012323-A2 | COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS | TRIGEN LIMITED (GB) | 2005-02-10 | — | — | WO | 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 (1 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-20050101551-A1 | Compounds useful as A3 adenosine receptor agonists | ADORA3, ADORA2A, ADORA2B | NPSR1 614/4885CYP1A2 544/4885BRD4 447/4885 |
“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.