Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20289179 | 0.89 | TAS1R3 (0.47) | L3MBTL1ALDH1A1MAPTTAS1R3TAS1R1 | |
| SCHEMBL13045900 | 0.84 | PPARG (0.49) | L3MBTL1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL20372911 | 0.80 | TAS1R3 (0.40) | TAS1R3TAS1R1PDE4APDE4BPDE4C | |
| SCHEMBL13933588 | 0.80 | TAAR1 (0.40) | MAPTTAS1R3TAS1R1MAPK1PDE4A | |
| SCHEMBL21164366 | 0.79 | S1PR1 (0.36) | — | |
| SCHEMBL22932925 | 0.79 | PPARG (0.50) | L3MBTL1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL20921361 | 0.79 | TAS1R3 (0.48) | TAS1R3TAS1R1MEN1KMT2AMAPK1 | |
| SCHEMBL21164523 | 0.78 | SLC6A4 (0.36) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL21164590 | 0.78 | MAPT (0.42) | L3MBTL1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL12646342 | 0.77 | MEN1 (0.46) | L3MBTL1ALDH1A1MAPTTAS1R3TAS1R1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |