Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 5/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22714098 | 0.81 | GPR3 (0.48) | GPR3CES1MAPTEPHX2KIF11 | |
| SCHEMBL2097129 | 0.78 | GPR3 (0.46) | GPR3CES1MAPTEPHX2KIF11 | |
| SCHEMBL5024677 | 0.78 | GPR3 (0.46) | GPR3CES1MAPTEPHX2KIF11 | |
| SCHEMBL1275598 | 0.76 | GPR3 (0.44) | GPR3CES1MAPTKIF11TRPV1 | |
| SCHEMBL462815 | 0.76 | GPR3 (0.44) | GPR3CES1MAPTEPHX2KIF11 | |
| SCHEMBL3034849 | 0.76 | GPR3 (0.45) | GPR3CES1EPHX2KIF11KDM4E | |
| SCHEMBL326580 | 0.76 | GPR3 (0.44) | GPR3MAPTEPHX2KIF11KDM4E | |
| SCHEMBL2095655 | 0.76 | GPR3 (0.44) | GPR3CES1EPHX2KIF11KDM4E | |
| SCHEMBL30053951 | 0.76 | GPR3 (0.44) | GPR3CES1MAPTEPHX2KIF11 | |
| SCHEMBL22100301 | 0.76 | GPR3 (0.41) | GPR3CES1MAPTEPHX2KIF11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1551846-A1 | AZABICYCLIC SPIROETHER DERIVATIVES AS RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004031191-A1 | AZABICYCLIC SPIROETHER DERIVATIVES AS RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2004-04-15 | — | — | WO | disclosed |