Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 3/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL9739720 | 0.91 | CCR2 (0.47) | CCR2KCNH2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9740561 | 0.88 | CHRNB2 (0.49) | CCR2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL9739064 | 0.87 | CHRNB2 (0.48) | CCR2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9746442 | 0.85 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1 | |
| SCHEMBL9740124 | 0.85 | HCN4 (0.51) | — | |
| SCHEMBL9739855 | 0.85 | CHRNB2 (0.46) | CCR2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9739779 | 0.84 | CCR2 (0.41) | CCR2KCNH2LTA4HEPHX2 | |
| SCHEMBL9739773 | 0.84 | SIGMAR1 (0.48) | KCNH2LTA4HEPHX2SIGMAR1DRD2 | |
| SCHEMBL9740516 | 0.84 | PKM (0.42) | CCR2KCNH2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9739940 | 0.84 | CCR2 (0.47) | CCR2KCNH2LTA4HEPHX2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0224794-B1 | CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION | Dr. Karl Thomae GmbH (DE) | 1990-09-12 | — | — | EP | disclosed |
| EP-0224794-A2 | Cyclic amine derivatives, medicines containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1987-06-10 | — | — | EP | disclosed |