Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 10/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL27770442 | 0.85 | CHRM3 (0.45) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL4203042 | 0.84 | KEAP1 (0.61) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL4213705 | 0.84 | KEAP1 (0.61) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL4203592 | 0.84 | KEAP1 (0.61) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL3554824 | 0.83 | CHRM3 (0.44) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL16735582 | 0.83 | EPHX2 (0.45) | CHRM3CHRM2CHRM4CHRM1 | |
| SCHEMBL2788610 | 0.83 | KEAP1 (0.59) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL16735608 | 0.82 | PDE2A (0.43) | CHRM3KEAP1NFE2L2APPCES2 | |
| SCHEMBL14587261 | 0.81 | KEAP1 (0.56) | CHRM3KEAP1NFE2L2CHRM2CHRM4 | |
| SCHEMBL4426942 | 0.81 | CHRM3 (0.42) | CHRM3KEAP1NFE2L2CHRM2CHRM4 |
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-2649045-B1 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2015-05-27 | — | — | EP | disclosed |
| EP-2649045-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076466-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-14 | — | — | WO | disclosed |