Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6991742 | 0.85 | GABRA1 (0.41) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6997246 | 0.84 | CALCA (0.42) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6994092 | 0.82 | GABRA1 (0.44) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6998659 | 0.81 | ACP1 (0.42) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6992864 | 0.81 | GABRA1 (0.55) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6993668 | 0.80 | HSD17B10 (0.50) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6993628 | 0.79 | LMNA (0.51) | POLBHTTKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL6998411 | 0.79 | IKBKB (0.43) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6994118 | 0.78 | GABRA1 (0.57) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL5846998 | 0.78 | GABRA1 (0.38) | GABRA1GABRG2GABRB3GABRA3GABRA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | claimed |
| EP-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | disclosed |
| US-6355798-B1 | LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | disclosed |