Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 7/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21831106 | 0.89 | SIGMAR1 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1 | |
| SCHEMBL21831108 | 0.89 | SIGMAR1 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1 | |
| SCHEMBL21831856 | 0.89 | SIGMAR1 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1 | |
| SCHEMBL21831083 | 0.85 | SIGMAR1 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1 | |
| Hydrochloric Acid SCHEMBL30910911 | 0.83 | SIGMAR1 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1 | |
| SCHEMBL21831136 | 0.83 | SIGMAR1 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1 | |
| SCHEMBL26945902 | 0.83 | SIGMAR1 (0.35) | SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1 | |
| SCHEMBL21831284 | 0.83 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1 | |
| Hydrochloric Acid SCHEMBL26925678 | 0.82 | SIGMAR1 (0.34) | SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1 | |
| Hydrochloric Acid SCHEMBL26925681 | 0.82 | SIGMAR1 (0.34) | SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3814348-B1 | SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS | BRISTOL MYERS SQUIBB CO (US) | 2023-08-02 | — | — | EP | disclosed |