Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 5/20 | 0.38 |
| ▸ | PLAU | P00749 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SLC9A5 | Q14940 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29907633 | 0.89 | ADORA2A (0.36) | ADORA2APLAURAB9ASLC9A5ALDH1A1 | |
| SCHEMBL22551815 | 0.89 | ADORA2A (0.36) | ADORA2APLAURAB9ASLC9A5ALDH1A1 | |
| SCHEMBL20658517 | 0.74 | ADORA2A (0.73) | ADORA2A | |
| SCHEMBL22552131 | 0.74 | ADORA2A (0.51) | ADORA2AALDH1A1NPC1LMNATSHR | |
| SCHEMBL29907526 | 0.74 | ADORA2A (0.51) | ADORA2AALDH1A1NPC1LMNATSHR | |
| SCHEMBL22552073 | 0.73 | HTT (0.42) | RAB9AALDH1A1LMNATSHRMEN1 | |
| SCHEMBL17768753 | 0.73 | CNR1 (0.49) | ADORA2ACYP1A2CYP2D6CYP2C19MEN1 | |
| SCHEMBL17768614 | 0.73 | ADORA2A (0.45) | ADORA2AALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL29907773 | 0.73 | HTT (0.42) | RAB9AALDH1A1LMNATSHRMEN1 | |
| SCHEMBL21722471 | 0.73 | RAB9A (0.40) | ADORA2ARAB9AALDH1A1NPC1LMNA |
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-2016081290-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-05-26 | — | — | WO | disclosed |