Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 2/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.65 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.58 |
| ▸ | HRH1 | P35367 | 3/20 | 0.57 |
| ▸ | HRH2 | P25021 | 1/20 | 0.57 |
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.53 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7986766 | 0.98 | KCNJ1 (0.65) | KCNJ1KCNH2HRH3SIGMAR1HRH1 | |
| SCHEMBL6221955 | 0.88 | KCNJ1 (0.86) | KCNJ1KCNH2HRH3SIGMAR1HRH1 | |
| SCHEMBL9819913 | 0.85 | SIGMAR1 (0.66) | KCNJ1KCNH2HRH3SIGMAR1HRH1 | |
| SCHEMBL18917604 | 0.84 | LTA4H (0.75) | KCNH2HRH3SIGMAR1HRH1LTA4H | |
| SCHEMBL2723136 | 0.80 | KCNH2 (1.00) | KCNJ1KCNH2HRH3SIGMAR1HRH1 | |
| SCHEMBL24942156 | 0.80 | HRH3 (0.64) | KCNJ1KCNH2HRH3HRH1HRH2 | |
| SCHEMBL151230 | 0.79 | HRH3 (0.70) | KCNJ1KCNH2HRH3 | |
| SCHEMBL154169 | 0.79 | HRH3 (0.70) | KCNJ1KCNH2HRH3 | |
| SCHEMBL492096 | 0.79 | HRH3 (1.00) | KCNH2HRH3HRH1HRH2CACNA1H | |
| SCHEMBL491825 | 0.79 | HRH3 (1.00) | KCNH2HRH3HRH1HRH2CACNA1H |
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-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 |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |