Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL28879031 | 0.87 | TBXAS1 (0.50) | TBXAS1CYP11B1CYP11B2TLR7TDP1 | |
| SCHEMBL1075247 | 0.85 | TBXAS1 (0.47) | TBXAS1CYP11B1CYP11B2TLR7TDP1 | |
| SCHEMBL10791463 | 0.80 | TBXAS1 (0.44) | TBXAS1CYP11B1CYP11B2KCNH2 | |
| SCHEMBL12064369 | 0.79 | CYP11B1 (0.41) | TBXAS1CYP11B1CYP11B2 | |
| SCHEMBL14028859 | 0.79 | TBXAS1 (0.53) | TBXAS1TLR7KCNH2TDP1L3MBTL1 | |
| SCHEMBL19334044 | 0.79 | TBXAS1 (0.53) | TBXAS1TLR7KCNH2TDP1L3MBTL1 | |
| SCHEMBL27772924 | 0.79 | TBXAS1 (0.53) | TBXAS1CYP11B1CYP11B2TLR7KCNH2 | |
| SCHEMBL22788407 | 0.79 | TBXAS1 (0.53) | TBXAS1TLR7KCNH2TDP1L3MBTL1 | |
| SCHEMBL25533012 | 0.79 | TBXAS1 (0.53) | TBXAS1TLR7KCNH2TDP1L3MBTL1 | |
| SCHEMBL27794093 | 0.78 | TBXAS1 (0.51) | TBXAS1CYP11B1CYP11B2TLR7KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |