Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isopulegol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Isopulegol SCHEMBL8814863 | 0.94 | TRPA1 (0.45) | TRPA1TRPM8CA1CA2CA4 | |
| Isopulegol SCHEMBL8815381 | 0.94 | TRPA1 (0.45) | TRPA1TRPM8CA1CA2CA4 | |
| Isopulegol SCHEMBL20681722 | 0.94 | TRPA1 (0.45) | TRPA1TRPM8CA1CA2CA4 | |
| Isopulegol SCHEMBL8815146 | 0.94 | TRPA1 (0.45) | TRPA1TRPM8CA1CA2CA4 | |
| Isopulegol SCHEMBL12044788 | 0.94 | TRPA1 (0.45) | TRPA1TRPM8CA1CA2CA4 | |
| Isopulegol SCHEMBL8814281 | 0.94 | TRPA1 (0.45) | TRPA1TRPM8CA1CA2CA4 | |
| Isopulegol SCHEMBL20903638 | 0.94 | TRPA1 (0.45) | TRPA1TRPM8CA1CA2CA4 | |
| Isopulegol SCHEMBL20903648 | 0.94 | TRPA1 (0.45) | TRPA1TRPM8CA1CA2CA4 | |
| Isopulegol SCHEMBL12451192 | 0.94 | TRPA1 (0.45) | TRPA1TRPM8CA1CA2CA4 | |
| Isopulegol SCHEMBL8632368 | 0.94 | TRPA1 (0.45) | TRPA1TRPM8CA1CA2CA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10745332-B2 | Process for purifying a crude composition including a monoterpene compound, such as a monocyclic monoterpene alcohol, by layer melt crystallization | SULZER MANAGEMENT AG (CH) | 2020-08-18 | — | — | US | disclosed |
| US-20200071249-A1 | PROCESS FOR PURIFYING A CRUDE COMPOSITION INCLUDING A MONOTERPENE COMPOUND, SUCH AS A MONOCYCLIC MONOTERPENE ALCOHOL, BY LAYER MELT CRYSTALLIZATION | SULZER MANAGEMENT AG (CH) | 2020-03-05 | — | — | US | disclosed |
| EP-3606896-A1 | A PROCESS FOR PURIFYING A CRUDE COMPOSITION INCLUDING A MONOTERPENE COMPOUND, SUCH AS A MONOCYCLIC MONOTERPENE ALCOHOL, BY LAYER MELT CRYSTALLIZATION | Sulzer Management AG (CH) | 2020-02-12 | — | — | EP | disclosed |
| WO-2018189386-A1 | A PROCESS FOR PURIFYING A CRUDE COMPOSITION INCLUDING A MONOTERPENE COMPOUND, SUCH AS A MONOCYCLIC MONOTERPENE ALCOHOL, BY LAYER MELT CRYSTALLIZATION | SULZER CHEMTECH AG (CH) | 2018-10-18 | — | — | WO | disclosed |
| EP-3388411-A1 | A PROCESS FOR PURIFYING A CRUDE COMPOSITION INCLUDING A MONOTERPENE COMPOUND, SUCH AS A MONOCYCLIC MONOTERPENE ALCOHOL, BY LAYER MELT CRYSTALLIZATION | Sulzer Chemtech AG (CH) | 2018-10-17 | — | — | EP | disclosed |