Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Thiophene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
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 SCHEMBL29616843 | 0.97 | LCK (0.47) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL28550995 | 0.97 | LCK (0.47) | FFAR3LCKFYNCES2CES1 | |
| Acetic Acid SCHEMBL755556 | 0.97 | LCK (0.47) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL502436 | 0.97 | — | — | |
| Thiophene SCHEMBL28167483 | 0.97 | LCK (0.47) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL28856570 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL27849176 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL936675 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL28163543 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL27618627 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNCES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110233289-A | A kind of high voltage additive and electrolyte and battery containing the additive | 李秀艳 | 2019-09-13 | — | — | CN | claimed |
| CN-110233289-A | A kind of high voltage additive and electrolyte and battery containing the additive | 李秀艳 | 2019-09-13 | — | — | CN | disclosed |