Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1,2-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 | 3/20 | 0.65 |
| ▸ | CA2 | P00918 | 3/20 | 0.65 |
| ▸ | CA12 | O43570 | 2/20 | 0.65 |
| ▸ | CA7 | P43166 | 2/20 | 0.65 |
| ▸ | CA9 | Q16790 | 2/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.65 |
| ▸ | CA4 | P22748 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.52 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | RXRA | P19793 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| 1,2-Dimethoxybenzene SCHEMBL27470563 | 0.97 | CA1 (0.68) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27898360 | 0.90 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27679751 | 0.90 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27408889 | 0.89 | CA1 (0.56) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL28254681 | 0.85 | CA1 (0.65) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL28268602 | 0.85 | SMN1; SMN2 (0.56) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL28118612 | 0.84 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| Guaiacol SCHEMBL5665553 | 0.84 | CA1 (0.78) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27452731 | 0.84 | CA1 (0.93) | CA1CA2CA12CA7CA9 | |
| Acetic Acid SCHEMBL7851847 | 0.82 | CA1 (0.50) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110291157-A | Charge-transporting material and application thereof | 日立化成株式会社 | 2019-09-27 | — | — | CN | disclosed |
| CN-110268000-A | Method for producing branched polymer, and organic electronic component | 日立化成株式会社 | 2019-09-20 | — | — | CN | disclosed |
| CN-110248981-A | Method for producing branched polymer, and organic electronic component | 日立化成株式会社 | 2019-09-17 | — | — | CN | disclosed |
| CN-109564980-A | Organic electronic material | 日立化成株式会社 | 2019-04-02 | — | — | CN | disclosed |
| CN-108886109-A | Charge-transporting material, the printing ink composition for having used it, organic electronic element, organic electroluminescent device, display element, lighting device and display device | 日立化成株式会社 | 2018-11-23 | — | — | CN | disclosed |