Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rotoxamine. 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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 4/20 | 0.83 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.83 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.83 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.83 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.83 |
| ▸ | LMNA | P02545 | 5/20 | 0.83 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.83 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.83 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.83 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.83 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.83 |
| ▸ | POLB | P06746 | 1/20 | 0.82 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.56 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.56 |
| ▸ | HRH2 | P25021 | 3/20 | 0.56 |
| ▸ | HTR2A | P28223 | 3/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Rotoxamine SCHEMBL29485023 | 0.91 | CHRM2 (1.00) | CHRM2SLC6A2SLC6A4SLC6A3LMNA | |
| Carbinoxamine SCHEMBL29414093 | 0.91 | CHRM2 (1.00) | CHRM2SLC6A2SLC6A4SLC6A3LMNA | |
| Carbinoxamine SCHEMBL29881788 | 0.91 | CHRM2 (1.00) | CHRM2SLC6A2SLC6A4SLC6A3LMNA | |
| Carbinoxamine SCHEMBL5070 | 0.91 | CHRM2 (1.00) | CHRM2SLC6A2SLC6A4SLC6A3LMNA | |
| Rotoxamine SCHEMBL141389 | 0.91 | CHRM2 (1.00) | CHRM2SLC6A2SLC6A4SLC6A3LMNA | |
| Carbinoxamine SCHEMBL14879681 | 0.91 | POLB (0.75) | CHRM2SLC6A2SLC6A4SLC6A3LMNA | |
| Carbinoxamine SCHEMBL97703 | 0.90 | POLB (1.00) | CHRM2SLC6A2SLC6A4SLC6A3LMNA | |
| Carbinoxamine SCHEMBL4223043 | 0.90 | POLB (1.00) | CHRM2SLC6A2SLC6A4SLC6A3LMNA | |
| Carbinoxamine SCHEMBL29758299 | 0.90 | POLB (1.00) | CHRM2SLC6A2SLC6A4SLC6A3LMNA | |
| Rotoxamine SCHEMBL28665889 | 0.90 | POLB (1.00) | CHRM2SLC6A2SLC6A4SLC6A3LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4269835-A | Nasal composition for relieving nasal distress | WHITTLE BARRY J | 1981-05-26 | — | — | US | claimed |
| US-20050202085-A1 | Unit dose of material in system and method | LOVERCHECK DALE R (US) | 2005-09-15 | — | — | US | disclosed |
| US-20020022058-A1 | Unit dose of material in system and method | LOVERCHECK DALE R (US) | 2002-02-21 | — | — | US | disclosed |
| EP-0212875-A2 | Medicinal composition and method of making same | Tucker, William Gough (US) | 1987-03-04 | — | — | EP | disclosed |
| US-4364945-A | ANTIHISTAMINE AND ISOMER OF VITAMIN E | WHITTLE BARRY J | 1982-12-21 | — | — | US | disclosed |
| US-4269835-A | Nasal composition for relieving nasal distress | WHITTLE BARRY J | 1981-05-26 | — | — | US | disclosed |