Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzofuran. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzofuran SCHEMBL28217433 | 0.81 | CA2 (0.41) | ALDH1A1SMN1; SMN2KDM4ELMNATDP1 | |
| Naphthalene SCHEMBL29169688 | 0.81 | SMN1; SMN2 (0.64) | ALDH1A1SMN1; SMN2KDM4EMAPTLMNA | |
| Benzofuran SCHEMBL8100958 | 0.81 | MAOA (0.42) | SMN1; SMN2LMNATDP1CA12CA2 | |
| Isocoumarin SCHEMBL29641491 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4EMAPTLMNA | |
| Benzofuran SCHEMBL27823689 | 0.78 | MAOA (0.44) | LMNATDP1CA12CA2CTNNB1 | |
| Benzofuran SCHEMBL11148189 | 0.78 | CA2 (0.43) | LMNATDP1CA12CA2CTNNB1 | |
| Benzofuran SCHEMBL27767613 | 0.77 | LMNA (0.48) | ALDH1A1SMN1; SMN2MAPTLMNATDP1 | |
| SCHEMBL6913759 | 0.77 | GAA (0.59) | ALDH1A1SMN1; SMN2KDM4EMAPTLMNA | |
| Biphenyl SCHEMBL3965069 | 0.76 | SMN1; SMN2 (0.60) | ALDH1A1SMN1; SMN2KDM4EMAPTLMNA | |
| Toluene SCHEMBL180606 | 0.75 | SMN1; SMN2 (0.65) | ALDH1A1SMN1; SMN2KDM4EMAPTLMNA |
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-107935972-A | 5 [2 hydroxyl 3 (isopropylamine base) propoxyl group] benzofuran derivatives and its application | 沈阳药科大学 | 2018-04-20 | — | — | CN | claimed |