Known targets — ChEMBL curated mechanism
SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A
The experimentally established mechanism targets of Hexylcaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A known ✓ | P35498 | 1/20 | 0.95 |
| ▸ | SCN2A known ✓ | Q99250 | 1/20 | 0.95 |
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.95 |
| ▸ | LMNA | P02545 | 1/20 | 0.95 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.95 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.95 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hexylcaine SCHEMBL34238 | 0.97 | LMNA (1.00) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Hexylcaine SCHEMBL1645996 | 0.97 | LMNA (1.00) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Hexylcaine SCHEMBL34239 | 0.97 | LMNA (1.00) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Hexylcaine SCHEMBL24194 | 0.96 | LMNA (0.97) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Hexylcaine SCHEMBL24192 | 0.96 | LMNA (0.97) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL14955131 | 0.77 | LMNA (0.66) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL28803763 | 0.77 | LMNA (0.65) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Benzoic Acid SCHEMBL3676802 | 0.77 | LMNA (0.65) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL28544688 | 0.76 | LMNA (0.64) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL18747647 | 0.76 | LMNA (0.64) | LMNACYP1A2CYP2D6SCN1ASCN2A |
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-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |