Known targets — ChEMBL curated mechanism
SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A
The experimentally established mechanism targets of Benoxinate. 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 | |
|---|---|---|---|---|
| ▸ | SCN1A known ✓ | P35498 | 5/20 | 0.91 |
| ▸ | SCN2A known ✓ | Q99250 | 5/20 | 0.91 |
| ▸ | SCN3A known ✓ | Q9NY46 | 5/20 | 0.91 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.91 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.91 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.91 |
| ▸ | TSHR | P16473 | 4/20 | 0.91 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.91 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.91 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.91 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.91 |
| ▸ | RAD52 | P43351 | 1/20 | 0.89 |
| ▸ | MAOA | P21397 | 3/20 | 0.69 |
| ▸ | HTR3A | P46098 | 2/20 | 0.69 |
| ▸ | BLM | P54132 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Benoxinate SCHEMBL30849863 | 0.95 | CYP2D6 (1.00) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL25087 | 0.95 | CYP2D6 (1.00) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL212440 | 0.94 | RAD52 (1.00) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL1649661 | 0.94 | RAD52 (1.00) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL15532182 | 0.93 | CYP2D6 (0.95) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL18740891 | 0.90 | CYP2D6 (0.89) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| SCHEMBL13439964 | 0.90 | CYP2D6 (0.89) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Betoxycaine SCHEMBL6898673 | 0.86 | CYP2D6 (0.82) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| SCHEMBL10533525 | 0.86 | CYP2D6 (0.83) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL18741050 | 0.86 | CYP2D6 (0.77) | CYP2D6CYP1A2SCN1ASCN2ASCN3A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10292953-B2 | Pharmaceutical composition of ibuprofen and tramadol for ophthalmic use | FARMALIDER SA (ES) | 2019-05-21 | — | — | US | disclosed |
| EP-2862565-B1 | Pharmaceutical composition of ibuprofen and tramadol for ophthalmological use | FARMALIDER SA (ES) | 2018-05-23 | — | — | EP | disclosed |
| EP-2862565-A1 | Pharmaceutical composition of ibuprofen and tramadol for ophthalmological use | Farmalider, S.A. (ES) | 2015-04-22 | — | — | EP | disclosed |
| US-20150105468-A1 | Pharmaceutical Composition of Ibuprofen and Tramadol for Ophthalmic Use | FARMALIDER SA (ES) | 2015-04-16 | — | — | US | disclosed |