Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 11/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25541888 | 0.85 | KCNH2 (0.41) | SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL22254875 | 0.82 | CYP2D6 (0.37) | SLC6A4CYP2D6 | |
| SCHEMBL16383691 | 0.79 | SLC6A4 (0.40) | SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL4679718 | 0.72 | TDP1 (0.47) | SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL4682014 | 0.72 | TDP1 (0.47) | SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2 | |
| Hydrochloric Acid SCHEMBL4685022 | 0.71 | TDP1 (0.49) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL4684309 | 0.70 | TDP1 (0.48) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL4684310 | 0.70 | TDP1 (0.48) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL22254883 | 0.70 | SLC6A4 (0.42) | SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL25531121 | 0.69 | CYP2D6 (0.41) | CYP2D6CYP1A2CYP2C19KCNH2SIGMAR1 |
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-2020150385-A1 | ANTIMICROBIAL COMPOUNDS AND METHODS | CURZA GLOBAL, LLC (US) | 2020-07-23 | — | — | WO | disclosed |