Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4874160 | 0.89 | ADORA2B (0.39) | ADORA2BALOX5GPR88CCR5ADORA1 | |
| SCHEMBL6621977 | 0.87 | GPR119 (0.41) | MAPK1MEN1KMT2AMAPT | |
| SCHEMBL4873106 | 0.82 | ALOX5 (0.33) | ADORA2BALOX5CCR5CYP1A2CYP2C9 | |
| SCHEMBL4865612 | 0.81 | CTSV (0.41) | ADORA2BCCR5CYP2C19KDM4EMEN1 | |
| SCHEMBL4871994 | 0.78 | ALDH1A1 (0.35) | ADORA2BCYP1A2CYP2C9MAPK1CYP2C19 | |
| SCHEMBL14256319 | 0.77 | ADORA2B (0.32) | ADORA2BALOX5GPR88ADORA1CYP1A2 | |
| SCHEMBL6624668 | 0.73 | REN (0.38) | ADORA2BADORA1CYP1A2CYP2C9MAPK1 | |
| SCHEMBL14256334 | 0.73 | REN (0.38) | ADORA2BADORA1CYP1A2CYP2C9MAPK1 | |
| SCHEMBL4874370 | 0.71 | JAK2 (0.46) | KDM4E | |
| SCHEMBL4874927 | 0.68 | USP30 (0.46) | — |
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-7338965-B2 | 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines | PHARMACIA & UPJOHN COMPANY (US) | 2008-03-04 | — | — | US | disclosed |