Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16165848 | 0.96 | TAAR1 (0.54) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6323998 | 0.87 | SLC6A2 (0.50) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23058169 | 0.85 | SLC6A2 (0.50) | SIGMAR1SLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL27854291 | 0.84 | TAAR1 (0.47) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16045783 | 0.83 | SLC6A2 (0.46) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6008090 | 0.83 | SIGMAR1 (0.54) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23496876 | 0.83 | SIGMAR1 (0.54) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3948948 | 0.83 | SIGMAR1 (0.54) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1415727 | 0.81 | SLC6A2 (0.63) | SIGMAR1SLC6A2SLC6A4SLC6A3MITF | |
| SCHEMBL6936570 | 0.81 | SLC6A2 (0.63) | SIGMAR1SLC6A2SLC6A4SLC6A3MITF |
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 |
|---|---|---|---|---|---|---|---|
| US-6030946-A | FUNCTIONS REVERSIBLY, RESULTING IN TIGHT BINDING (LOW DISSOCIATION CONSTANTS) BETWEEN INHIBITOR AND TARGET ENZYME; USED TO TREAT VARIETY OF DISEAES, INCLUDING ARTHRITIS, MUSCULAR DYSTROPHY, INFLAMMATION, TUMOR INVASION, MALERIA | AXYS PHARMACEUTICALS, INC. (US) | 2000-02-29 | — | — | US | disclosed |