Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3242999 | 0.98 | HSD11B1 (0.42) | HSD11B1 | |
| SCHEMBL1043082 | 0.63 | — | — | |
| SCHEMBL7552932 | 0.61 | — | — | |
| SCHEMBL2805815 | 0.58 | CYP2C19 (0.45) | HSD11B1 | |
| SCHEMBL2807409 | 0.58 | HSD11B1 (0.41) | HSD11B1 | |
| SCHEMBL3243001 | 0.58 | — | — | |
| SCHEMBL3495245 | 0.57 | CYP2C19 (0.48) | HSD11B1 | |
| SCHEMBL14084349 | 0.57 | HSD11B1 (0.40) | HSD11B1 | |
| SCHEMBL840651 | 0.57 | CYP2C19 (0.48) | HSD11B1 | |
| SCHEMBL24450454 | 0.56 | — | — |
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-6294690-B1 | REACTING BENZONITRILE WITH ALKALI METAL IN AMMONIA OR AMINE IN SOLVENT TO FORM ANIONIC INTERMEDIATE, ALKYLATING WITH HALOACETIC ACID, HYDROGENATING RING, HYDROGENATING NITRILE TO AMINE TO PRODUCE GABAPENTIN | WARNER-LAMBERT COMPANY | 2001-09-25 | — | — | US | disclosed |