Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | NRP1 | O14786 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 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 | |
|---|---|---|---|---|
| SCHEMBL2165207 | 0.76 | ADORA1 (0.41) | ADORA1ADORA2AADORA2BKDM4EHPGD | |
| SCHEMBL2014923 | 0.73 | TRPM8 (0.46) | ADORA1ADORA2AADORA2BKDM4EHPGD | |
| SCHEMBL2717327 | 0.71 | PIK3CD (0.52) | ADORA1ADORA2AADORA2BRXFP1 | |
| SCHEMBL29152141 | 0.70 | ADORA1 (0.50) | TAAR1ADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL2013334 | 0.69 | TAAR1 (0.48) | TAAR1ADORA2ASYKDPP4 | |
| SCHEMBL12125684 | 0.68 | TAAR1 (0.48) | TAAR1ADORA2AHPGDMAP4K4 | |
| SCHEMBL2012666 | 0.68 | TAAR1 (0.47) | TAAR1ADORA2A | |
| SCHEMBL2013332 | 0.68 | MAP4K4 (0.42) | TAAR1ADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL2017407 | 0.65 | ADORA2A (0.36) | ADORA2AHPGD | |
| SCHEMBL13380015 | 0.64 | KDM4E (0.42) | ADORA1ADORA2AKDM4EHPGDL3MBTL1 |
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-2011075630-A1 | SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2011-06-23 | — | — | WO | disclosed |