Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 2/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP24A1 | Q07973 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CYP27A1 | Q02318 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8200671 | 0.88 | GRIN1 (0.48) | ADRA1DADRA1AADRA1BRAB9ASMN1; SMN2 | |
| SCHEMBL8199368 | 0.81 | CYP26A1 (0.49) | CYP26A1CD274ADRA1DADRA1AADRA1B | |
| SCHEMBL7130448 | 0.76 | HRH3 (0.51) | CD274ADRA1DADRA1AADRA1BITGB3 | |
| SCHEMBL8200806 | 0.75 | CYP26A1 (0.45) | CYP26A1CD274FFAR1FFAR4ADAM17 | |
| SCHEMBL8192688 | 0.75 | CYP26A1 (0.45) | CYP26A1CD274FFAR1FFAR4ADAM17 | |
| SCHEMBL8192685 | 0.75 | CYP26A1 (0.45) | CYP26A1CD274FFAR1FFAR4ADAM17 | |
| SCHEMBL6500564 | 0.74 | CD274 (0.47) | CD274CCR5ADRA1DADRA1AADRA1B | |
| SCHEMBL8200598 | 0.72 | CYP26A1 (0.52) | CYP26A1CD274CYP24A1CYP27A1 | |
| SCHEMBL8202807 | 0.71 | ADRA1D (0.46) | CD274ADRA1DADRA1AADRA1BGRIN1 | |
| SCHEMBL8202799 | 0.71 | ADRA1D (0.46) | CD274ADRA1DADRA1AADRA1BGRIN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998036749-A1 | TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-08-27 | — | — | WO | claimed |
| US-6048877-A | Tetralone derivatives as antiarrhythmic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-04-11 | — | — | US | disclosed |