Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
The experimentally established mechanism targets of 1,6-Hexanediol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| 1,5-Pentanediol SCHEMBL923627 | 1.00 | CA5A (0.46) | CA5ACA5BGPR84FFAR1FFAR4 | |
| 1,5-Pentanediol SCHEMBL1896067 | 1.00 | CA5A (0.46) | CA5ACA5BGPR84FFAR1FFAR4 | |
| 1,4-Butanediol SCHEMBL445780 | 0.96 | CA5A (0.50) | CA5ACA5BGPR84FFAR1FFAR4 | |
| 1,4-Butanediol SCHEMBL924158 | 0.96 | CA5A (0.50) | CA5ACA5BGPR84FFAR1FFAR4 | |
| 1,4-Butanediol SCHEMBL921711 | 0.92 | CA5A (0.46) | CA5ACA5BGPR84FFAR1FFAR4 | |
| 1,4-Butanediol SCHEMBL27884349 | 0.92 | CA5A (0.46) | CA5ACA5BGPR84FFAR1FFAR4 | |
| Sulfuric Acid SCHEMBL920405 | 0.88 | CA5A (0.50) | CA5ACA5BGPR84FFAR1FFAR4 | |
| Sulfuric Acid SCHEMBL710960 | 0.88 | CA5A (0.50) | CA5ACA5BGPR84FFAR1FFAR4 | |
| SCHEMBL4300373 | 0.86 | LMNA (0.47) | GPR84FFAR1FFAR4LMNAALDH1A1 | |
| 1,5-Pentanediol SCHEMBL2966670 | 0.86 | LMNA (0.47) | GPR84FFAR1FFAR4LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106866434-B | A kind of preparation method of VENLAFAXINE HCL intermediate | 齐鲁天和惠世制药有限公司 | 2018-10-30 | — | — | CN | disclosed |
| CN-106866434-A | A kind of preparation method of VENLAFAXINE HCL intermediate | 齐鲁天和惠世制药有限公司 | 2017-06-20 | — | — | CN | disclosed |