Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5871994 | 0.79 | MME (0.37) | — | |
| SCHEMBL5872189 | 0.77 | MEN1 (0.39) | — | |
| SCHEMBL5871216 | 0.77 | PPARA (0.40) | ALDH1A1 | |
| SCHEMBL9602332 | 0.77 | PDE4A (0.35) | — | |
| SCHEMBL8545986 | 0.76 | CYP2A6 (0.42) | CYP19A1LOXL2ALDH1A1HSD17B10RAB9A | |
| SCHEMBL9602656 | 0.75 | CTSK (0.33) | — | |
| SCHEMBL8880541 | 0.71 | ESR1 (0.38) | CYP3A4CYP2C9CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL4058750 | 0.70 | ACACB (0.40) | CYP3A4CYP19A1ALDH1A1RAB9A | |
| SCHEMBL19522791 | 0.70 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL8686886 | 0.69 | NPC1 (0.40) | CYP2D6RAB9A |
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 |