Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1,4-Dimethoxybenzene. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.68 |
| ▸ | CA2 | P00918 | 6/20 | 0.68 |
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA7 | P43166 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.65 |
| ▸ | CES2 | O00748 | 2/20 | 0.64 |
| ▸ | CES1 | P23141 | 2/20 | 0.64 |
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.58 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.58 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | LDHA | P00338 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
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 SCHEMBL28408918 | 0.90 | ACHE (0.71) | CA1CA2CA12CA7CA9 | |
| Anisole SCHEMBL28307620 | 0.89 | CA4 (0.74) | CA1CA2CA12CA7CA9 | |
| Anisole SCHEMBL30068922 | 0.89 | CA4 (0.74) | CA1CA2CA12CA7CA9 | |
| Anisole SCHEMBL3008918 | 0.89 | CA4 (0.74) | CA1CA2CA12CA7CA9 | |
| P-Methoxy-Acetophenone SCHEMBL11372884 | 0.88 | CA1 (0.68) | CA1CA2CES2CES1PARP1 | |
| Acetic Acid SCHEMBL9138173 | 0.88 | HPGD (0.70) | CA1CA2CES2CES1MAPT | |
| Acetic Acid SCHEMBL28904976 | 0.88 | TDP1 (0.73) | CA1CA2CA12CA7CA9 | |
| Acetic Acid SCHEMBL27529802 | 0.88 | CA1 (0.56) | CA1CA2CA12CA7CA9 | |
| Acetic Acid SCHEMBL30426275 | 0.88 | CA1 (0.56) | CA1CA2CA12CA7CA9 | |
| Acetic Acid SCHEMBL1868800 | 0.88 | LMNA (0.61) | CA1CA2CA12CA7CA9 |
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-103221437-B | Polymer compound and resist protective film composition for liquid immersion exposure process containing same | DONGJIN SEMICHEM CO.,LTD. (KR) | 2016-02-17 | — | — | CN | disclosed |