Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Menthone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TLR4 | O00206 | 4/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Menthone SCHEMBL31534032 | 1.00 | NPC1 (0.42) | NPC1L3MBTL1TLR4USP2EPHX1 | |
| Menthone SCHEMBL6128521 | 0.90 | TLR4 (0.39) | NPC1L3MBTL1TLR4RAB9ACRBN | |
| Menthone SCHEMBL901274 | 0.90 | TLR4 (0.39) | NPC1L3MBTL1TLR4RAB9ACRBN | |
| Rel-Isomenthone SCHEMBL650578 | 0.90 | TLR4 (0.39) | NPC1L3MBTL1TLR4RAB9ACRBN | |
| Rel-Menthone SCHEMBL21711 | 0.90 | TLR4 (0.39) | NPC1L3MBTL1TLR4RAB9ACRBN | |
| Menthone SCHEMBL4395963 | 0.90 | TLR4 (0.39) | NPC1L3MBTL1TLR4RAB9ACRBN | |
| Menthone SCHEMBL12326763 | 0.90 | TLR4 (0.39) | NPC1L3MBTL1TLR4RAB9ACRBN | |
| Menthone SCHEMBL13255148 | 0.90 | TLR4 (0.39) | NPC1L3MBTL1TLR4RAB9ACRBN | |
| Menthone SCHEMBL21709 | 0.90 | TLR4 (0.39) | NPC1L3MBTL1TLR4RAB9ACRBN | |
| Rel-Menthone SCHEMBL1868327 | 0.90 | TLR4 (0.39) | NPC1L3MBTL1TLR4RAB9ACRBN |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106999502-A | Pharmaceutical composition and method | 来普卡公司 | 2017-08-01 | — | — | CN | claimed |