Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tridecanal. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.76 |
| ▸ | FAAH | O00519 | 3/20 | 0.67 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.67 |
| ▸ | EP300 | Q09472 | 1/20 | 0.54 |
| ▸ | TERT | O14746 | 3/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | FABP4 | P15090 | 2/20 | 0.52 |
| ▸ | PPARG | P37231 | 2/20 | 0.52 |
| ▸ | PPARD | Q03181 | 2/20 | 0.52 |
| ▸ | PPARA | Q07869 | 2/20 | 0.52 |
| ▸ | GMNN | O75496 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Octanal SCHEMBL8835004 | 1.00 | TSHR (0.76) | TSHRFAAHTRPV1EP300TERT | |
| Undecanal SCHEMBL28641020 | 1.00 | TSHR (0.76) | TSHRFAAHTRPV1EP300TERT | |
| Nonanal SCHEMBL1989067 | 1.00 | TSHR (0.76) | TSHRFAAHTRPV1EP300TERT | |
| Octanal SCHEMBL28654686 | 0.98 | TSHR (0.73) | TSHRFAAHTRPV1EP300TERT | |
| Hexanal SCHEMBL28153745 | 0.98 | TSHR (0.71) | TSHRFAAHTRPV1EP300TERT | |
| Acetic Acid SCHEMBL28235846 | 0.94 | FAAH (0.79) | TSHRFAAHTRPV1TERTPTPN1 | |
| Dodecanal SCHEMBL6136625 | 0.93 | TSHR (0.80) | TSHRFAAHTRPV1EP300TERT | |
| Dodecanal SCHEMBL29171101 | 0.92 | TSHR (0.64) | TSHRFAAHTRPV1EP300MAPT | |
| Heptanal SCHEMBL28834689 | 0.91 | TSHR (0.76) | TSHRFAAHTRPV1EP300TERT | |
| Hexanal SCHEMBL29194254 | 0.90 | TSHR (0.75) | TSHRFAAHTRPV1EP300TERT |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137617-B | Oxa-azaspiro compounds with anti-pain activity | 埃斯蒂文制药股份有限公司 | 2021-07-02 | — | — | CN | disclosed |