Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isometheptene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.75 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 4/20 | 0.38 |
| ▸ | FNTB | P49356 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.37 |
| ▸ | FDPS | P14324 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Isometheptene SCHEMBL3927395 | 0.94 | ALDH1A1 (0.73) | ALDH1A1GLAHPGDALOX15TSHR | |
| Isometheptene SCHEMBL17316005 | 0.92 | ALDH1A1 (0.71) | ALDH1A1GLAHPGDALOX15TSHR | |
| Dexisometheptene SCHEMBL15894912 | 0.92 | ALDH1A1 (0.68) | ALDH1A1GLAHPGDALOX15TSHR | |
| Dexisometheptene SCHEMBL15894877 | 0.92 | ALDH1A1 (0.68) | ALDH1A1GLAHPGDALOX15TSHR | |
| Isometheptene SCHEMBL148619 | 0.92 | ALDH1A1 (0.68) | ALDH1A1GLAHPGDALOX15TSHR | |
| Isometheptene SCHEMBL17316158 | 0.91 | ALDH1A1 (0.69) | ALDH1A1GLAHPGDALOX15TSHR | |
| Isometheptene SCHEMBL2820117 | 0.90 | ALDH1A1 (0.66) | ALDH1A1GLAHPGDALOX15TSHR | |
| Isometheptene SCHEMBL1650274 | 0.89 | ALDH1A1 (0.88) | ALDH1A1GLAHPGDALOX15TSHR | |
| Isometheptene SCHEMBL1291709 | 0.89 | ALDH1A1 (0.67) | ALDH1A1GLAHPGDALOX15TSHR | |
| Mucic Acid SCHEMBL94782 | 0.86 | ALDH1A1 (1.00) | ALDH1A1GLAHPGDALOX15TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7018976-B2 | Fabric treatment article and method | UNILEVER HOME & PERSONAL CARE USA, DIVISON OF CONOPCO, INC. (US) | 2006-03-28 | — | — | US | disclosed |
| US-20040214744-A1 | Fabric treatment article and method | Henkel IP & Holding GmbH (DE) | 2004-10-28 | — | — | US | disclosed |