Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bethanidine. 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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bethanidine SCHEMBL34433 | 0.98 | ALOX12 (0.48) | MAPTKDM4ECYP3A4ALOX12ALDH1A1 | |
| Bethanidine SCHEMBL34434 | 0.98 | ALOX12 (0.48) | MAPTKDM4ECYP3A4ALOX12ALDH1A1 | |
| Bethanidine SCHEMBL34432 | 0.98 | ALOX12 (0.48) | MAPTKDM4ECYP3A4ALOX12ALDH1A1 | |
| Bethanidine SCHEMBL29390473 | 0.90 | KMT2A (0.43) | MAPTKDM4ECYP3A4ALOX12ALDH1A1 | |
| Bethanidine SCHEMBL7530034 | 0.90 | KMT2A (0.43) | MAPTKDM4ECYP3A4ALOX12ALDH1A1 | |
| Bethanidine SCHEMBL122035 | 0.90 | KMT2A (0.43) | MAPTKDM4ECYP3A4ALOX12ALDH1A1 | |
| Bethanidine SCHEMBL122033 | 0.90 | KMT2A (0.43) | MAPTKDM4ECYP3A4ALOX12ALDH1A1 | |
| SCHEMBL11840901 | 0.83 | ALOX12 (0.48) | MAPTKDM4ECYP3A4ALOX12ALDH1A1 | |
| SCHEMBL11840897 | 0.83 | ALOX12 (0.48) | MAPTKDM4ECYP3A4ALOX12ALDH1A1 | |
| Bethanidine SCHEMBL29285011 | 0.82 | MAOB (0.44) | MAPTALOX12ALDH1A1HPGDGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4132793-A | NATURAL DYE, ASCORBIC OR ERYTHORBIC ACID, SODIUM HEXAMETAPHOSPHATE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-01-02 | — | — | US | disclosed |
| US-4118516-A | BETALAINE DYES STABILIZED WITH ASCORBIC ACID | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-10-03 | — | — | US | disclosed |