Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRPS1 | P60891 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 4/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 6/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.32 |
| ▸ | MC3R | P41968 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23107125 | 0.78 | CCR1 (0.35) | DPP4DPP8TRPA1KDM4EGDA | |
| SCHEMBL30324540 | 0.76 | KDM2B (0.33) | DPP4TRPA1KDM4EGDAPIK3CD | |
| SCHEMBL23089477 | 0.76 | KDM2B (0.33) | DPP4TRPA1KDM4EGDAPIK3CD | |
| SCHEMBL20203372 | 0.74 | TRPA1 (0.38) | TRPA1 | |
| SCHEMBL19759411 | 0.73 | ALOX15 (0.32) | GDAPIK3CDPOLBADORA3CNR1 | |
| SCHEMBL25298063 | 0.72 | TRPA1 (0.33) | TRPA1KDM4EKDM4CALDH1A1TSHR | |
| SCHEMBL31028559 | 0.72 | TRPA1 (0.33) | TRPA1KDM4EKDM4CALDH1A1TSHR | |
| SCHEMBL5355348 | 0.69 | ADORA2A (0.40) | TRPA1KDM4EGDAPIK3CDPOLB | |
| SCHEMBL25292129 | 0.69 | DPP4 (0.35) | DPP4KDM4EALDH1A1 | |
| SCHEMBL30478284 | 0.69 | DPP4 (0.35) | DPP4KDM4EALDH1A1 |
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-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |