Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL21210714 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2D6TDP1L3MBTL1KCNH2 | |
| SCHEMBL23963172 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2D6TDP1L3MBTL1KCNH2 | |
| SCHEMBL460224 | 0.98 | CYP3A4 (0.41) | CYP3A4CYP2D6TDP1L3MBTL1KCNH2 | |
| Hydrochloric Acid SCHEMBL3733909 | 0.96 | CYP3A4 (0.40) | CYP3A4CYP2D6TDP1L3MBTL1KCNH2 | |
| SCHEMBL5373758 | 0.92 | — | — | |
| SCHEMBL5537391 | 0.80 | ALDH1A1 (0.33) | CYP3A4TDP1ALDH1A1USP2HPGD | |
| SCHEMBL20937684 | 0.77 | LMNA (0.37) | CYP3A4CYP2D6LMNA | |
| SCHEMBL23940063 | 0.75 | CYP3A4 (0.35) | CYP3A4CYP2D6 | |
| SCHEMBL5544928 | 0.75 | — | — | |
| SCHEMBL21742813 | 0.74 | MEN1 (0.37) | L3MBTL1MAPTALDH1A1MEN1KMT2A |
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-9708347-B2 | Heterobicyclo-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |