Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 6/20 | 0.47 |
| ▸ | WNT3A | P56704 | 6/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | NT5E | P21589 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 2/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
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 SCHEMBL31275524 | 1.00 | CTNNB1 (0.47) | CTNNB1WNT3AMAOAKDM4ECYP1A2 | |
| Benzofuran SCHEMBL7029052 | 1.00 | CTNNB1 (0.47) | CTNNB1WNT3AMAOAKDM4ECYP1A2 | |
| Benzofuran SCHEMBL1073865 | 0.98 | CTNNB1 (0.46) | CTNNB1WNT3AMAOAKDM4ECYP1A2 | |
| Benzofuran SCHEMBL28870582 | 0.94 | CTNNB1 (0.45) | CTNNB1WNT3AMAOAKDM4ECYP1A2 | |
| Benzofuran SCHEMBL28101110 | 0.92 | CTNNB1 (0.45) | CTNNB1WNT3AMAOAKDM4ECYP1A2 | |
| Benzofuran SCHEMBL6244470 | 0.91 | CTNNB1 (0.50) | CTNNB1WNT3AMAOALMNAMAOB | |
| Benzofuran SCHEMBL11121861 | 0.91 | CTNNB1 (0.50) | CTNNB1WNT3AMAOALMNAMAOB | |
| Benzofuran SCHEMBL11121745 | 0.91 | CTNNB1 (0.50) | CTNNB1WNT3AMAOALMNAMAOB | |
| Benzofuran SCHEMBL28034570 | 0.90 | CTNNB1 (0.42) | CTNNB1WNT3AMAOAKDM4ECYP1A2 | |
| Benzofuran SCHEMBL27939490 | 0.89 | CTNNB1 (0.49) | CTNNB1WNT3AMAOALMNAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-4246179-A | MICROBIOCIDES, ANTISEPTICS | RIKER LABORATORIES, INC. (US) | 1981-01-20 | — | — | US | disclosed |