Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 4/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5664809 | 0.83 | LDHA (0.40) | LDHAADORA2ATSHRPI4KAPI4K2B | |
| SCHEMBL5135024 | 0.74 | ADORA2A (0.43) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5135022 | 0.72 | ADORA2A (0.44) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5134655 | 0.70 | TLR7 (0.38) | TSHRL3MBTL1MPONCF1ALDH1A1 | |
| SCHEMBL5665202 | 0.68 | KDR (0.42) | KDM1AKITEGFR | |
| SCHEMBL5134739 | 0.67 | MAP4K4 (0.40) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5135030 | 0.67 | GAPDH (0.42) | ADORA2ATSHRPI4KAPI4K2BPI4K2A | |
| SCHEMBL5664802 | 0.67 | TLR7 (0.40) | ADORA2ATSHRL3MBTL1KDM1AMPO | |
| SCHEMBL5664940 | 0.66 | KDR (0.43) | KDM1AKITEGFR | |
| SCHEMBL5135370 | 0.66 | CES1 (0.47) | ADORA2ARAB9ANPC1EGFR |
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-20080268460-A1 | Assays to Identify Irreversibly Binding Inhibitors of Receptor Tyrosine Kinases | WYETH (US) | 2008-10-30 | — | — | US | disclosed |