Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 4/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | CDC7 | O00311 | 2/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 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 | |
|---|---|---|---|---|
| SCHEMBL2649875 | 0.81 | PARP1 (0.39) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2651339 | 0.80 | ERN1 (0.48) | CYP1A2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL31301232 | 0.77 | NUDT1 (0.57) | NUDT1CYP1A2METAP2KCNH2AOC3 | |
| SCHEMBL26003738 | 0.77 | KCNH2 (0.49) | NUDT1CYP1A2METAP2KCNH2AOC3 | |
| SCHEMBL2648431 | 0.76 | CASP6 (0.36) | — | |
| SCHEMBL2648933 | 0.75 | NUDT1 (0.42) | NUDT1CYP1A2METAP2KCNH2AOC3 | |
| SCHEMBL13963342 | 0.75 | NUDT1 (0.42) | NUDT1CYP1A2METAP2KCNH2AOC3 | |
| SCHEMBL2648986 | 0.75 | NUDT1 (0.45) | NUDT1CYP1A2METAP2KCNH2AOC3 | |
| SCHEMBL2651849 | 0.75 | CYP11B2 (0.33) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL23255421 | 0.72 | CYP1A2 (0.57) | NUDT1CYP1A2METAP2GPBAR1 |
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-2004014865-A1 | PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2004-02-19 | — | — | WO | disclosed |