Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ARG1 | P05089 | 1/20 | 0.39 |
| ▸ | ARG2 | P78540 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL5928282 | 1.00 | ARG1 (0.39) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL2082443 | 0.98 | ARG1 (0.38) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL5928185 | 0.94 | NPSR1 (0.40) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL17393020 | 0.93 | NPSR1 (0.39) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL11954374 | 0.92 | NPSR1 (0.35) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL5928435 | 0.85 | OPRM1 (0.39) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL17393648 | 0.85 | OPRM1 (0.39) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL17393574 | 0.85 | OPRM1 (0.39) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL23053580 | 0.85 | ARG1 (0.39) | ARG1ARG2CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL17393573 | 0.84 | OPRM1 (0.38) | ARG1ARG2CYP2D6SLC6A2SLC6A4 |
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-2014025658-A1 | PYRROLIDINE THROMBIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-02-13 | — | — | WO | disclosed |