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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL28039176 | 0.94 | GPR84 (0.46) | FFAR3LCKFYNCAMK2AGPR84 | |
| 1,3-Propanediol SCHEMBL1758195 | 0.90 | — | — | |
| Acetic Acid SCHEMBL79590 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNCAMK2AALDH1A1 | |
| Acetic Acid SCHEMBL15334117 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNCAMK2AALDH1A1 | |
| 1,3-Propanediol SCHEMBL29226807 | 0.87 | FFAR3 (0.50) | FFAR3LCKFYNCAMK2AGPR84 | |
| Butyl Alcohol SCHEMBL28199336 | 0.86 | ALDH1A1 (0.58) | GPR84FFAR1FFAR4ALDH1A1TSHR | |
| 1,4-Butanediol SCHEMBL1680038 | 0.83 | FFAR3 (0.54) | FFAR3LCKFYNCAMK2AGPR84 | |
| 1,4-Butanediol SCHEMBL28269711 | 0.83 | FFAR3 (0.54) | FFAR3LCKFYNCAMK2AGPR84 | |
| 1,4-Butanediol SCHEMBL3332310 | 0.83 | FFAR3 (0.54) | FFAR3LCKFYNCAMK2AGPR84 | |
| 1,3-Propanediol SCHEMBL50358 | 0.83 | — | — |
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 |