Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL10769807 | 0.95 | — | — | |
| Hexane SCHEMBL30742821 | 0.94 | — | — | |
| Hexane SCHEMBL1194219 | 0.89 | — | — | |
| Hexane SCHEMBL466691 | 0.89 | — | — | |
| Octane SCHEMBL7866472 | 0.89 | — | — | |
| Hexane SCHEMBL8705498 | 0.88 | TSHR (0.88) | — | |
| Hexane SCHEMBL357364 | 0.88 | TSHR (0.88) | — | |
| Hexane SCHEMBL399 | 0.88 | — | — | |
| Hexane SCHEMBL11650566 | 0.88 | TSHR (0.88) | — | |
| Hexane SCHEMBL9859565 | 0.88 | TSHR (0.88) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5759369-A | HYDROPHILIC SEGMENT AND TERMINAL HYDROPHOBIC SEGMENTS, SEPARATION OF POLYNUCLEOTIDES IN DNA SEQUENCING PROCEDURES | THE PERKIN-ELMER CORPORATION (US) | 1998-06-02 | — | — | US | disclosed |