Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 12/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9785692 | 0.80 | SLC6A4 (0.63) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6160138 | 0.79 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6621005 | 0.79 | SLC6A4 (0.49) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL8553350 | 0.79 | SLC6A4 (0.51) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL22797859 | 0.78 | SLC6A2 (0.53) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL4560310 | 0.75 | SLC6A4 (0.62) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL19064185 | 0.74 | IKBKB (0.43) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL9785681 | 0.74 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL4634790 | 0.74 | SLC6A2 (0.69) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL4634803 | 0.73 | SLC6A4 (1.00) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016086153-A2 | USE OF TETRAHYDRO!NDAZOLYLBEIMZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) | ESANEX, INC. (US) | 2016-06-02 | — | — | WO | disclosed |