Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 10/20 | 0.55 |
| ▸ | GABRG2 | P18507 | 10/20 | 0.55 |
| ▸ | GABRB3 | P28472 | 10/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 10/20 | 0.55 |
| ▸ | GABRA2 | P47869 | 10/20 | 0.55 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 8/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6994118 | 0.90 | GABRA1 (0.57) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6995915 | 0.81 | GABRA1 (0.43) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6991742 | 0.81 | GABRA1 (0.41) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6997246 | 0.79 | CALCA (0.42) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6993668 | 0.78 | HSD17B10 (0.50) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6992859 | 0.78 | GABRA1 (0.48) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6994092 | 0.78 | GABRA1 (0.44) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6995965 | 0.77 | GSK3A (0.48) | HIF1AALDH1A1AURKAHTTCYP1A2 | |
| SCHEMBL6998411 | 0.77 | IKBKB (0.43) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6993628 | 0.77 | LMNA (0.51) | ALDH1A1POLBHTTCYP1A2 |
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 |
| US-6355798-B1 | LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | claimed |
| US-6355798-B1 | LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-03-12 | — | — | US | disclosed |