Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ether. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 SCHEMBL5086365 | 0.97 | ALDH1A1 (0.64) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL950771 | 0.97 | ALDH1A1 (0.64) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL11973815 | 0.97 | ALDH1A1 (0.64) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Ether SCHEMBL701687 | 0.97 | ALDH1A1 (0.64) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL1356765 | 0.94 | ALDH1A1 (0.61) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL775056 | 0.94 | ALDH1A1 (0.67) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL29137469 | 0.94 | ALDH1A1 (0.67) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL9493592 | 0.92 | ALDH1A1 (0.64) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL768587 | 0.90 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRBHSD17B10LMNA | |
| Acetic Acid SCHEMBL28100343 | 0.90 | ALDH1A1 (0.56) | ALDH1A1TSHRTHRBHSD17B10LMNA |
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-20080188625-A1 | Carboxyl Group-Containing Polyurethane and Thermosetting Resin Composition Using the Same | SHOWA DENKO K.K. (JP) | 2008-08-07 | — | — | US | disclosed |