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 | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.38 |
| ▸ | MGAM | O43451 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SI | P14410 | 2/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | BID | P55957 | 6/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 6/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 6/20 | 0.35 |
| ▸ | BAK1 | Q16611 | 6/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350001 | 0.96 | PTPN1 (0.40) | PTPN1MGAMGAASIMGAM2 | |
| SCHEMBL154620 | 0.96 | PTPN1 (0.40) | PTPN1MGAMGAASIMGAM2 | |
| SCHEMBL27974253 | 0.96 | PTPN1 (0.40) | PTPN1MGAMGAASIMGAM2 | |
| SCHEMBL23924349 | 0.96 | PTPN1 (0.40) | PTPN1MGAMGAASIMGAM2 | |
| SCHEMBL29565713 | 0.96 | PTPN1 (0.40) | PTPN1MGAMGAASIMGAM2 | |
| Rel-Menthone SCHEMBL5961370 | 0.80 | PTPN1 (0.35) | PTPN1MGAMGAASIMGAM2 | |
| Methyl Salicylate SCHEMBL1579926 | 0.78 | LMNA (0.42) | PTPN1BIDBCL2L1MCL1BAK1 | |
| SCHEMBL15764699 | 0.77 | PTPN1 (0.35) | PTPN1MGAMGAASIMGAM2 | |
| Sabinene SCHEMBL9360164 | 0.76 | NR1I2 (0.32) | PTPN1RORCBIDBCL2L1MCL1 | |
| Alpha-Phellandrene SCHEMBL8855951 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2242498-A2 | SYNERGISTIC ANTIPARASITIC COMPOSITIONS AND SCREENING METHODS | Tyratech, Inc. (US) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009086471-A2 | SYNERGISTIC ANTIPARASITIC COMPOSITIONS AND SCREENING METHODS | TYRATECH, INC. (US) | 2009-07-09 | — | — | WO | disclosed |
| EP-2073632-A1 | SYNERGISTIC PEST-CONTROL COMPOSITIONS | Tyratech, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2009038599-A1 | SYNERGISTIC PEST-CONTROL COMPOSITIONS | TYRATECH, INC. (US) | 2009-03-26 | — | — | WO | disclosed |