Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 8/20 | 0.53 |
| ▸ | BCHE | P06276 | 4/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6745787 | 0.86 | CHRM3 (0.56) | CHRM3ACHEBCHEMAOB | |
| SCHEMBL7493463 | 0.82 | GPR119 (0.53) | — | |
| Hydrochloric Acid SCHEMBL7684853 | 0.79 | OPRM1 (0.50) | CHRM3ACHEBCHE | |
| SCHEMBL6749692 | 0.78 | OPRM1 (0.54) | CHRM3ACHEBCHE | |
| SCHEMBL9218378 | 0.78 | ACHE (0.64) | CHRM3ACHEBCHEDRD2DRD4 | |
| SCHEMBL8809184 | 0.78 | DRD2 (0.61) | ACHEBCHEMAOBDRD2DRD4 | |
| Hydrochloric Acid SCHEMBL9536536 | 0.77 | DRD2 (0.60) | ACHEBCHEDRD2DRD4 | |
| SCHEMBL4419400 | 0.76 | ALDH1A1 (0.62) | — | |
| SCHEMBL6857224 | 0.75 | SIGMAR1 (0.60) | ACHEBCHEDRD2DRD4 | |
| SCHEMBL608528 | 0.75 | ALDH1A1 (0.76) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1173170-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1173170-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-23 | — | — | EP | disclosed |
| US-6265434-B1 | ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. | 2001-07-24 | — | — | US | disclosed |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |