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 | 1.00 |
| ▸ | SCN2A known ✓ | Q99250 | 5/20 | 1.00 |
| ▸ | SCN3A known ✓ | Q9NY46 | 5/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 6/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 6/20 | 1.00 |
| ▸ | TSHR | P16473 | 5/20 | 1.00 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 4/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 1/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 1/20 | 1.00 |
| ▸ | RAD52 | P43351 | 1/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.72 |
| ▸ | MAOA | P21397 | 3/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.72 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.72 |
| ▸ | HTR3A | P46098 | 3/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
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 SCHEMBL25087 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL212440 | 0.99 | RAD52 (1.00) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL1649661 | 0.99 | RAD52 (1.00) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL15532182 | 0.98 | CYP2D6 (0.95) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL16633604 | 0.95 | CYP2D6 (0.91) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Benoxinate SCHEMBL18740891 | 0.94 | CYP2D6 (0.89) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| SCHEMBL13439964 | 0.94 | CYP2D6 (0.89) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| Betoxycaine SCHEMBL6898673 | 0.91 | CYP2D6 (0.82) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| SCHEMBL10533525 | 0.91 | CYP2D6 (0.83) | CYP2D6CYP1A2SCN1ASCN2ASCN3A | |
| SCHEMBL14304165 | 0.90 | CYP2D6 (0.82) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240122885-A1 | Endometriosis-Related Methods and Compositions | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2024-04-18 | — | — | US | disclosed |