Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.32 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2651841 | 0.83 | BCAT1 (0.35) | BCAT1PDK2DYRK1AGABRA1GABRG2 | |
| SCHEMBL2650897 | 0.81 | GABRA1 (0.36) | BCAT1PDK2DYRK1AGABRA1GABRG2 | |
| SCHEMBL1605889 | 0.80 | PDK2 (0.46) | BCAT1PDK2GABRA1GABRG2GABRB3 | |
| SCHEMBL24084232 | 0.80 | BCAT1 (0.41) | BCAT1PDK2DYRK1AGABRA1GABRG2 | |
| SCHEMBL2651366 | 0.78 | ESR2 (0.46) | BCAT1PDK2GABRG2GABRB3GABRA5 | |
| SCHEMBL29361902 | 0.78 | DYRK1A (0.44) | BCAT1DYRK1ANPC1RAB9ALRRK2 | |
| SCHEMBL977135 | 0.78 | DYRK1A (0.44) | BCAT1DYRK1ANPC1RAB9ALRRK2 | |
| SCHEMBL2651460 | 0.77 | CYP11B1 (0.41) | BCAT1PDK2CHUKCYP11B1CYP11B2 | |
| SCHEMBL6695099 | 0.76 | ADORA1 (0.38) | BCAT1DYRK1AGABRA1GABRG2GABRB3 | |
| SCHEMBL24084229 | 0.76 | PDK2 (0.43) | BCAT1PDK2GABRA1GABRG2GABRB3 |
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-2004065388-A1 | FLUOROIMIDAZOPYRIMIDINES AS GABA-A ALPHA 2/3 LIGANDS FOR DEPRESSION/ANXIETY | MERCK SHARP & DOHME LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |