Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11830296 | 0.88 | SCN9A (0.40) | CYP2A6MMEAKR1C3AKR1C2DPP4 | |
| SCHEMBL11445818 | 0.86 | VEGFA (0.39) | CYP2A6MMEAKR1C3AKR1C2DPP4 | |
| SCHEMBL11445061 | 0.84 | GRIA4 (0.47) | MMEAKR1C3AKR1C2GRIA4FFAR1 | |
| SCHEMBL11465035 | 0.84 | ALDH1A1 (0.38) | AKR1C3AKR1C2 | |
| SCHEMBL11445870 | 0.82 | FFAR1 (0.47) | FFAR1 | |
| SCHEMBL11829130 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL11456049 | 0.77 | FFAR1 (0.46) | AKR1C3AKR1C2GRIA4FFAR1PTGS2 | |
| SCHEMBL11446450 | 0.76 | CYP2A6 (0.43) | CYP2A6MMEAKR1C3AKR1C2DPP4 | |
| SCHEMBL11445724 | 0.75 | LMNA (0.59) | AKR1C3AKR1C2FFAR1PTGS2 | |
| SCHEMBL10981141 | 0.74 | PTGS2 (0.66) | CYP2A6AKR1C3AKR1C2PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4191776-A | ANTITHROMBOTICS, ANTICHOLESTEREMICS, ANTICOAGULANTS | BOEHRINGER INGELHEIM GMBH (DE) | 1980-03-04 | — | — | US | disclosed |
| US-3993683-A | ANTITHROMBOTIC, ANTICHOLESTEREMICS, ANTICOAGULANTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-11-23 | — | — | US | disclosed |