Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.60 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.60 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.60 |
| ▸ | AGXT | P21549 | 1/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.55 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | GLS | O94925 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3030177 | 0.87 | CYP2A6 (0.55) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL9810053 | 0.83 | CYP2A6 (0.64) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL16399948 | 0.81 | CYP2A6 (0.56) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL4847281 | 0.81 | CYP2A6 (0.56) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL23259460 | 0.80 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL6240752 | 0.80 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL1444780 | 0.80 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL661546 | 0.80 | CYP2A6 (0.71) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL1706424 | 0.80 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL4047968 | 0.80 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2AGXTADRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697379-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-03-25 | — | — | EP | disclosed |
| EP-1697379-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005063769-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2005-07-14 | — | — | WO | disclosed |