Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1,5-Pentanediol. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | G6PD | P11413 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10618328 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| 1,5-Pentanediol SCHEMBL28493250 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| 1,6-Hexanediol SCHEMBL28193578 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| 1,6-Hexanediol SCHEMBL28498786 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| 1,4-Butanediol SCHEMBL8461121 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| 1,3-Propanediol SCHEMBL3302630 | 0.94 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| 1,3-Propanediol SCHEMBL815140 | 0.94 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| Cetostearyl Alcohol SCHEMBL2194656 | 0.93 | MCHR1 (0.50) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| Octanol SCHEMBL27906975 | 0.93 | MCHR1 (0.50) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 | |
| Cetyl Alcohol SCHEMBL27625313 | 0.93 | MCHR1 (0.50) | ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112973461-B | Mixed matrix membrane with chiral metal organic molecular cage as filler and preparation and application thereof | 上海交通大学 | 2021-12-28 | — | — | CN | claimed |
| CN-112973461-A | Mixed matrix membrane with chiral metal organic molecular cage as filler and preparation and application thereof | 上海交通大学 | 2021-06-18 | — | — | CN | claimed |
| CN-109776483-B | Tetraphenyl ethylene macrocyclic compound with strong fluorescence discoloration performance, and synthetic method and application thereof | 华南师范大学 | 2021-04-20 | — | — | CN | claimed |
| CN-116375726-B | Tetrastyryl cyclizing compound with photochromic and mechanochromatic properties and synthetic method and application thereof | 华南师范大学 | 2024-05-14 | — | — | CN | disclosed |
| CN-116375726-A | Tetrastyryl cyclizing compound with photochromic and mechanochromatic properties and synthetic method and application thereof | 华南师范大学 | 2023-07-04 | — | — | CN | disclosed |
| CN-112973461-B | Mixed matrix membrane with chiral metal organic molecular cage as filler and preparation and application thereof | 上海交通大学 | 2021-12-28 | — | — | CN | disclosed |
| CN-112973461-A | Mixed matrix membrane with chiral metal organic molecular cage as filler and preparation and application thereof | 上海交通大学 | 2021-06-18 | — | — | CN | disclosed |
| EP-2176227-A1 | PROCESS FOR PRODUCING CISATRACURIUM AND ASSOCIATED INTERMEDIATES | Chemagis Ltd. (IL) | 2010-04-21 | — | — | EP | disclosed |
| WO-2009007946-A1 | PROCESS FOR PRODUCING CISATRACURIUM AND ASSOCIATED INTERMEDIATES | CHEMAGIS LTD. (IL) | 2009-01-15 | — | — | WO | disclosed |