Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Diethylaniline. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | CNR2 | P34972 | 3/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.48 |
| ▸ | ESRRG | P62508 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Diethylaniline SCHEMBL28333434 | 0.89 | MEN1 (0.59) | MEN1KMT2ANOX1NPC1RAB9A | |
| Diethylaniline SCHEMBL10699604 | 0.88 | TSHR (0.64) | MEN1KMT2ANOX1NPC1RAB9A | |
| Diethylaniline SCHEMBL17594 | 0.88 | TSHR (0.70) | MEN1KMT2ANOX1NPC1RAB9A | |
| Diethylaniline SCHEMBL9000098 | 0.88 | TSHR (0.70) | MEN1KMT2ANOX1NPC1RAB9A | |
| Diethylaniline SCHEMBL28255693 | 0.88 | MEN1 (0.54) | MEN1KMT2ANOX1NPC1RAB9A | |
| Diethylaniline SCHEMBL28106632 | 0.87 | MEN1 (0.58) | MEN1KMT2ANOX1NPC1RAB9A | |
| Diethylaniline SCHEMBL28201804 | 0.86 | TSHR (0.61) | MEN1KMT2ANOX1NPC1RAB9A | |
| Diethylaniline SCHEMBL28100873 | 0.86 | TSHR (0.61) | MEN1KMT2ANOX1NPC1RAB9A | |
| Diethylaniline SCHEMBL11443667 | 0.86 | TSHR (0.61) | MEN1KMT2ANOX1NPC1RAB9A | |
| Diethylaniline SCHEMBL9638069 | 0.85 | TSHR (0.67) | MEN1KMT2ANOX1NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4486179-A | ESTERS OF SYRINGIC ACID AS ANTICARIES AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1984-12-04 | — | — | US | disclosed |