Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Temefos. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTGIR | P43119 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Temefos SCHEMBL15553439 | 0.87 | LMNA (0.51) | LMNAALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| Temefos SCHEMBL23303378 | 0.87 | LMNA (0.53) | LMNAALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| Temefos SCHEMBL44105 | 0.87 | LMNA (0.53) | LMNAALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| Temefos SCHEMBL8741692 | 0.85 | LMNA (0.51) | LMNAALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| Temefos SCHEMBL6388031 | 0.85 | LMNA (0.51) | LMNAALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| Temefos SCHEMBL10455340 | 0.80 | LMNA (0.47) | LMNAALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| Temefos SCHEMBL9809762 | 0.77 | LMNA (0.42) | LMNAALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| Temefos SCHEMBL117778 | 0.76 | LMNA (0.40) | LMNAALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| Temefos SCHEMBL20840360 | 0.76 | LMNA (0.47) | LMNAALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| SCHEMBL30412917 | 0.76 | CYP3A4 (0.53) | LMNAALDH1A1SMN1; SMN2CYP3A4HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1045202-C | Process for making 1,3-diols and 3-hydroxyaldehydes | SHELL INT RESEARCH (NL) | 1999-09-22 | — | — | CN | disclosed |
| CN-1117289-A | Process for making 1,3-diols and 3-hydroxyaldehydes | SHELL INT RESEARCH (NL) | 1996-02-21 | — | — | CN | disclosed |
| EP-0682650-A1 | PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1995-11-22 | — | — | EP | disclosed |
| WO-1994018149-A1 | PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1994-08-18 | — | — | WO | disclosed |