Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Aspirin Trelamine. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.51 |
| ▸ | SCN1A | P35498 | 5/20 | 0.66 |
| ▸ | SCN2A | Q99250 | 5/20 | 0.66 |
| ▸ | SCN3A | Q9NY46 | 5/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | GGT1 | P19440 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Aspirin Trelamine SCHEMBL2467129 | 0.97 | SCN1A (0.65) | SCN1ASCN2ASCN3AKDM4ELMNA | |
| Aspirin Trelamine SCHEMBL30345899 | 0.97 | SCN1A (0.65) | SCN1ASCN2ASCN3AKDM4ELMNA | |
| Aspirin Trelamine SCHEMBL2578309 | 0.96 | SCN1A (0.64) | SCN1ASCN2ASCN3AKDM4ELMNA | |
| Aspirin Trelamine SCHEMBL30058370 | 0.96 | SCN1A (0.64) | SCN1ASCN2ASCN3AKDM4ELMNA | |
| Aspirin Trelamine SCHEMBL28209327 | 0.96 | SCN1A (0.64) | SCN1ASCN2ASCN3AKDM4ELMNA | |
| Aspirin Trelamine SCHEMBL2472615 | 0.95 | SCN1A (0.63) | SCN1ASCN2ASCN3AKDM4ELMNA | |
| Aspirin Trelamine SCHEMBL29481379 | 0.95 | SCN1A (0.63) | SCN1ASCN2ASCN3AKDM4ELMNA | |
| Hydrochloric Acid SCHEMBL31465590 | 0.94 | SCN1A (0.61) | SCN1ASCN2ASCN3AKDM4ELMNA | |
| Aspirin Trelamine SCHEMBL25209549 | 0.93 | SCN1A (0.60) | SCN1ASCN2ASCN3AKDM4ELMNA | |
| Aspirin Trelamine SCHEMBL25267494 | 0.93 | SCN1A (0.60) | SCN1ASCN2ASCN3AKDM4ELMNA |
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-103922946-A | Positively-charged water-soluble prodrugs of aspirin | YU CHONGXI | 2014-07-16 | — | — | CN | disclosed |