Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR4 | P46093 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
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 SCHEMBL7983376 | 0.98 | GPR4 (0.44) | GPR4KCNH2MEN1KMT2AOPRM1 | |
| SCHEMBL5237164 | 0.90 | OPRM1 (0.39) | GPR4KCNH2OPRM1OPRL1DRD2 | |
| SCHEMBL5175182 | 0.83 | OPRM1 (0.56) | GPR4KCNH2MEN1KMT2AOPRM1 | |
| SCHEMBL5500050 | 0.83 | KCNH2 (0.43) | GPR4KCNH2OPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL7984412 | 0.82 | OPRM1 (0.55) | GPR4KCNH2MEN1KMT2AOPRM1 | |
| Hydrochloric Acid SCHEMBL7983042 | 0.82 | KCNH2 (0.42) | GPR4KCNH2OPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL7986563 | 0.81 | MEN1 (0.39) | MEN1KMT2ADRD2HTR1AHTR2A | |
| SCHEMBL7492536 | 0.81 | CYP2D6 (0.45) | GPR4KCNH2OPRM1OPRD1OPRK1 | |
| SCHEMBL5502520 | 0.80 | KCNH2 (0.41) | GPR4KCNH2DRD2SLC6A2SLC6A4 | |
| SCHEMBL5500263 | 0.80 | KCNH2 (0.41) | GPR4KCNH2OPRM1OPRD1OPRK1 |
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 5 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-6303593-B1 | FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-10-16 | — | — | US | disclosed |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |