Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | GPR4 | P46093 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
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 SCHEMBL7973499 | 0.99 | SLC6A4 (0.49) | SLC6A4CYP1A2HDAC1HDAC8GPR4 | |
| SCHEMBL5175182 | 0.82 | OPRM1 (0.56) | HDAC1HDAC8GPR4KCNH2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL7984412 | 0.80 | OPRM1 (0.55) | HDAC1HDAC8GPR4KCNH2SIGMAR1 | |
| SCHEMBL7541306 | 0.80 | GPR4 (0.41) | HDAC1HDAC8GPR4KCNH2OPRM1 | |
| Hydrochloric Acid SCHEMBL7972419 | 0.79 | GPR4 (0.40) | HDAC1HDAC8GPR4KCNH2OPRM1 | |
| SCHEMBL5500050 | 0.78 | KCNH2 (0.43) | GPR4KCNH2OPRM1OPRD1OPRK1 | |
| SCHEMBL5499307 | 0.78 | SIGMAR1 (0.49) | SLC6A4GPR4KCNH2SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL7983042 | 0.77 | KCNH2 (0.42) | GPR4KCNH2OPRM1OPRD1OPRK1 | |
| SCHEMBL7498985 | 0.76 | GPR4 (0.45) | SLC6A4GPR4KCNH2SLC6A2HTR2A | |
| SCHEMBL5502520 | 0.75 | KCNH2 (0.41) | SLC6A4GPR4KCNH2SIGMAR1SLC6A2 |
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 |