Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1,3-Propanediol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3289518 | 0.91 | TSHR (0.41) | TSHRL3MBTL1ALDH1A1TDP1KDM4E | |
| 1,3-Propanediol SCHEMBL7196383 | 0.88 | TSHR (0.37) | TSHRL3MBTL1ALDH1A1 | |
| Acetic Acid SCHEMBL5698774 | 0.88 | TSHR (0.46) | TSHRL3MBTL1ALDH1A1TDP1KDM4E | |
| 1,4-Butanediol SCHEMBL29083545 | 0.83 | SMN1; SMN2 (0.38) | TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL3341579 | 0.78 | ALDH1A1 (0.45) | TSHRALDH1A1GAA | |
| Ethylene Glycol SCHEMBL351864 | 0.77 | TSHR (0.41) | TSHRL3MBTL1ALDH1A1TDP1CTSK | |
| 1,3-Propanediol SCHEMBL1758195 | 0.77 | — | — | |
| 1,3-Propanediol SCHEMBL7185164 | 0.76 | TSHR (0.36) | TSHRALDH1A1TDP1CAMK2AFFAR3 | |
| Thioglycolic Acid SCHEMBL27622732 | 0.76 | TSHR (0.33) | TSHRL3MBTL1ALDH1A1KDM4ECTSK | |
| SCHEMBL25350353 | 0.75 | TSHR (0.39) | TSHRL3MBTL1ALDH1A1KDM4E |
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-6610638-B1 | Reacting acrolein with alcohols, hydrogenating in presence of catalysts and distillating to recover 3-methoxy-1-propanol, used as cleaning compounds or chemical intermediates | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-08-26 | — | — | US | disclosed |
| EP-1085003-A1 | HIGH-PURITY 1,3-PROPANEDIOL DERIVATIVE SOLVENT, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) | 2001-03-21 | — | — | EP | disclosed |