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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | IKBKB | O14920 | 2/20 | 0.34 |
| ▸ | CHUK | O15111 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 6/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.31 |
| ▸ | PIP4K2A | P48426 | 2/20 | 0.31 |
| ▸ | PIP4K2B | P78356 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL2911013 | 0.97 | CRBN (0.62) | CRBNCYP3A4IKBKBCHUKBRD4 | |
| Methyl Alcohol SCHEMBL2913736 | 0.96 | CRBN (0.67) | CRBNCYP3A4IKBKBCHUKBRD4 | |
| SCHEMBL2913931 | 0.96 | CRBN (0.69) | CRBNCYP3A4IKBKBCHUKBRD4 | |
| Water SCHEMBL2915433 | 0.95 | CRBN (0.68) | CRBNCYP3A4IKBKBCHUKBRD4 | |
| Isopropyl Alcohol SCHEMBL2910113 | 0.94 | CRBN (0.64) | CRBNCYP3A4IKBKBCHUKBRD4 | |
| Ethyl Acetate SCHEMBL2913872 | 0.92 | CRBN (0.59) | CRBNCYP3A4IKBKBCHUKBRD4 | |
| Acetonitrile SCHEMBL2915375 | 0.92 | CRBN (0.64) | CRBNCYP3A4IKBKBCHUKBRD4 | |
| SCHEMBL2324103 | 0.92 | CRBN (0.57) | CRBNCYP3A4IKBKBCHUKBRD4 | |
| SCHEMBL2913565 | 0.91 | CRBN (0.58) | CRBNCYP3A4IKBKBCHUKBRD4 | |
| SCHEMBL2915430 | 0.90 | CRBN (0.57) | CRBNCYP3A4IKBKBCHUKBRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2222646-A1 | URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C | Abbott Laboratories (US) | 2010-09-01 | — | — | EP | claimed |
| EP-2203431-A1 | ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF | Abbott Laboratories (US) | 2010-07-07 | — | — | EP | claimed |
| WO-2009039127-A1 | URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C | ABBOTT LABORATORIES (US) | 2009-03-26 | — | — | WO | claimed |
| WO-2009039134-A1 | ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF | ABBOTT LABORATORIES (US) | 2009-03-26 | — | — | WO | claimed |
| EP-2222161-A1 | QUINOXALINYL DERIVATIVES | Enanta Pharmaceuticals, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009073719-A1 | QUINOXALINYL DERIVATIVES | ENANTA PHARMACEUTICALS, INC. (US) | 2009-06-11 | — | — | WO | disclosed |