Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ambucaine. 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 | P35498 | 6/20 | 0.76 |
| ▸ | SCN2A | Q99250 | 6/20 | 0.76 |
| ▸ | SCN3A | Q9NY46 | 6/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.76 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.57 |
| ▸ | MAOA | P21397 | 3/20 | 0.57 |
| ▸ | HTR3A | P46098 | 3/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | RAD52 | P43351 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Ambucaine SCHEMBL82280 | 0.91 | SCN1A (0.91) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Ambucaine SCHEMBL1007224 | 0.90 | CYP2D6 (0.88) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Hydroxyprocaine SCHEMBL10922646 | 0.89 | HRH3 (0.67) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Propoxycaine SCHEMBL83073 | 0.87 | SCN1A (1.00) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Propoxycaine SCHEMBL29353209 | 0.87 | SCN1A (1.00) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Propoxycaine SCHEMBL24720 | 0.86 | SCN1A (0.98) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Propoxycaine SCHEMBL1651061 | 0.85 | SCN1A (0.95) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Hydroxyprocaine SCHEMBL29359359 | 0.84 | HRH3 (0.74) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Hydroxyprocaine SCHEMBL417718 | 0.84 | HRH3 (0.74) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Hydroxyprocaine SCHEMBL5988786 | 0.83 | HRH3 (0.72) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2217259-A2 | METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS | National Jewish Health (US) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009052411-A2 | METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS | NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) | 2009-04-23 | — | — | WO | disclosed |
| EP-1954681-A2 | COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT | National Jewish Medical and Research Center (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007073518-A9 | COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT | NAT JEWISH MED & RES CENTER (US) | 2007-08-23 | — | — | WO | disclosed |
| WO-2007073518-A2 | COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT | NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) | 2007-06-28 | — | — | WO | disclosed |
| EP-1562563-A4 | METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS | NAT JEWISH MED & RES CENTER (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1562563-A2 | METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS | National Jewish Medical and Research Center (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004042020-A2 | METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS | NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) | 2004-05-21 | — | — | WO | disclosed |