Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL623768 | 0.73 | CYP3A4 (0.33) | CYP3A4ALOX15CYP1A2MAPTPOLB | |
| SCHEMBL5872023 | 0.72 | NQO2 (0.30) | — | |
| SCHEMBL4381961 | 0.68 | AOC3 (0.32) | — | |
| SCHEMBL1773996 | 0.64 | GABRA1 (0.32) | GABRA1GABRB2 | |
| SCHEMBL2946940 | 0.64 | GABRA1 (0.35) | GABRA1GABRB2 | |
| SCHEMBL5726097 | 0.63 | CYP1A2 (0.36) | CYP1A2 | |
| SCHEMBL7156166 | 0.63 | GABRA1 (0.33) | POLBGABRA1GABRB2 | |
| SCHEMBL723360 | 0.63 | GABRA1 (0.33) | CYP3A4CYP1A2MAPTGABRA1GABRB2 | |
| SCHEMBL7928568 | 0.63 | GABRA1 (0.33) | CYP3A4ALOX15ALDH1A1SMN1; SMN2GABRA1 | |
| SCHEMBL14552465 | 0.62 | CYP3A4 (0.49) | CYP3A4ALOX15CYP1A2MAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003101381-A2 | 1,2 DIAMIDO CYCLOALKYL SODIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2003-12-11 | — | — | WO | disclosed |