Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 2/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9185287 | 0.82 | ADRA2B (0.38) | SLC6A4SLC6A3 | |
| SCHEMBL26125646 | 0.79 | NPC1 (0.33) | APLNR | |
| SCHEMBL31042359 | 0.79 | APLNR (0.42) | CYP3A4APLNR | |
| SCHEMBL21556841 | 0.79 | APLNR (0.31) | APLNR | |
| SCHEMBL31073192 | 0.79 | APLNR (0.42) | CYP3A4APLNR | |
| SCHEMBL26125642 | 0.79 | NPC1 (0.33) | APLNR | |
| SCHEMBL7196103 | 0.79 | APLNR (0.31) | APLNR | |
| SCHEMBL408604 | 0.79 | APLNR (0.42) | CYP3A4APLNR | |
| SCHEMBL17362036 | 0.77 | KIF11 (0.31) | KIF11 | |
| SCHEMBL18056394 | 0.77 | CA2 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5217963-A | Antiischemic, antiepileptic agent | CIBA-GEIGY CORPORATION (US) | 1993-06-08 | — | — | US | disclosed |
| US-5057506-A | Anticonvulsants, antispasmodic and antischemic agents | CIBA-GEIGY CORPORATION (US) | 1991-10-15 | — | — | US | disclosed |
| US-4906621-A | Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade | CIBA-GEIGY CORPORATION (US) | 1990-03-06 | — | — | US | disclosed |