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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
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 SCHEMBL4318090 | 0.95 | TSHR (0.62) | TSHRMEN1KMT2ATHRBHTT | |
| Acetic Acid SCHEMBL99361 | 0.93 | TSHR (0.65) | TSHRMEN1KMT2ATHRBHTT | |
| Acetic Acid SCHEMBL28251941 | 0.91 | TSHR (0.58) | TSHRMEN1KMT2ATHRBHTT | |
| Butoxyethanol SCHEMBL587577 | 0.91 | TSHR (0.77) | TSHRMEN1KMT2ATHRBHTT | |
| Di(Hydroxyethyl)Ether SCHEMBL4453213 | 0.91 | TSHR (0.77) | TSHRMEN1KMT2ATHRBHTT | |
| Acetic Acid SCHEMBL37245 | 0.91 | TSHR (0.59) | TSHRMEN1KMT2ATHRBHTT | |
| Acetic Acid SCHEMBL9616198 | 0.91 | TSHR (0.59) | TSHRMEN1KMT2ATHRBHTT | |
| Acetic Acid SCHEMBL28723481 | 0.91 | TSHR (0.59) | TSHRMEN1KMT2ATHRBHTT | |
| Triethylene Glycol SCHEMBL275016 | 0.89 | TSHR (0.74) | TSHRMEN1KMT2ATHRBHTT | |
| Acetic Acid SCHEMBL28870592 | 0.89 | TSHR (0.74) | TSHRMEN1KMT2ATHRBHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090324831-A1 | CURABLE RESIN COMPOSITION AND PROCESS FOR PRODUCING CURED COATING USING THE SAME | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2009-12-31 | — | — | US | disclosed |
| EP-2048196-A1 | CURABLE RESIN COMPOSITION AND METHOD FOR FORMING CURED COATING FILM | Daicel Chemical Industries, Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| 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 |