Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | DCAF1 | Q9Y4B6 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11446226 | 0.88 | CYP2A6 (0.41) | SCN9AMAOBDPP4DPP7CYP2A6 | |
| SCHEMBL11445818 | 0.85 | VEGFA (0.39) | MAOBDPP4DPP7CYP2A6AKR1C3 | |
| SCHEMBL11824335 | 0.85 | GRIA4 (0.46) | DPP4DPP7AKR1C3AKR1C2CYP2C19 | |
| SCHEMBL11465035 | 0.83 | ALDH1A1 (0.38) | AOC3AKR1C3AKR1C2 | |
| SCHEMBL11805824 | 0.77 | SCN9A (0.45) | SCN9AMAOBDPP4DPP7CYP2A6 | |
| SCHEMBL28775715 | 0.75 | SCN9A (0.48) | SCN9AMAOBDPP4DPP7CYP2A6 | |
| SCHEMBL11831913 | 0.74 | MAOB (0.43) | SCN9AMAOBDPP4DPP7CYP2A6 | |
| SCHEMBL11834642 | 0.73 | SCN9A (0.41) | SCN9AMAOBDPP4DPP7CYP2A6 | |
| SCHEMBL11445061 | 0.73 | GRIA4 (0.47) | AKR1C3AKR1C2MMECYP2C19 | |
| SCHEMBL11839283 | 0.71 | DAGLA (0.42) | — |
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-3993683-A | ANTITHROMBOTIC, ANTICHOLESTEREMICS, ANTICOAGULANTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-11-23 | — | — | US | disclosed |