Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18948468 | 0.80 | GAA (0.43) | GAAMAPTRAB9ANPC1MEN1 | |
| SCHEMBL5819539 | 0.70 | SMYD3 (0.32) | GAAMAPTRAB9ANPC1MEN1 | |
| SCHEMBL12196253 | 0.70 | CCR5 (0.35) | GAAMAPTRAB9ANPC1MEN1 | |
| SCHEMBL5819548 | 0.70 | SMYD3 (0.32) | GAAMAPTRAB9ANPC1MEN1 | |
| SCHEMBL24688173 | 0.69 | POLB (0.34) | GAAMAPTRAB9ANPC1MEN1 | |
| SCHEMBL3870308 | 0.69 | SMYD3 (0.36) | GAAMAPTRAB9ANPC1MEN1 | |
| SCHEMBL25018129 | 0.67 | MAPT (0.31) | MAPT | |
| SCHEMBL25018136 | 0.66 | HDAC4 (0.34) | — | |
| SCHEMBL25017950 | 0.66 | KDM4E (0.30) | GAAMEN1KMT2ATSHRKDM4E | |
| SCHEMBL19454523 | 0.66 | CNR2 (0.49) | RAB9ANPC1CYP2C19CNR2HCRTR1 |
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 |