Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 1.00 |
| ▸ | TACR1 | P25103 | 17/20 | 1.00 |
| ▸ | TACR3 | P29371 | 9/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.79 |
| ▸ | CCR5 | P51681 | 2/20 | 0.66 |
| ▸ | HRH1 | P35367 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7310110 | 0.91 | TACR2 (0.83) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL7751656 | 0.90 | TACR2 (0.82) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7474050 | 0.90 | TACR2 (0.81) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL31224200 | 0.90 | TACR2 (0.81) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL24855387 | 0.90 | TACR2 (0.81) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7312720 | 0.89 | TACR2 (0.81) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL7751958 | 0.89 | TACR2 (0.79) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6448486 | 0.89 | TACR1 (0.79) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7090412 | 0.89 | TACR1 (0.79) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6449952 | 0.89 | TACR1 (0.79) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1003743-A4 | 3,3-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | claimed |
| US-6124319-A | TREATING INFLAMMATORY AND IMMUNOREGULATORY DISORDERS AND DISEASES, INCLUDING ASTHMA AND ALLERGIC DISEASES, AUTOIMMUNE PATHOLOGIES SUCH AS RHEUMATOID ARTHRITIS AND ATHEROSCLEROSIS | MERCK & CO., INC. (US) | 2000-09-26 | — | — | US | claimed |
| EP-1003743-A1 | 3,3-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-05-31 | — | — | EP | claimed |
| WO-1998031364-A1 | 3,3-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-07-23 | — | — | WO | claimed |
| EP-1003743-A4 | 3,3-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-6124319-A | TREATING INFLAMMATORY AND IMMUNOREGULATORY DISORDERS AND DISEASES, INCLUDING ASTHMA AND ALLERGIC DISEASES, AUTOIMMUNE PATHOLOGIES SUCH AS RHEUMATOID ARTHRITIS AND ATHEROSCLEROSIS | MERCK & CO., INC. (US) | 2000-09-26 | — | — | US | disclosed |
| EP-1003743-A1 | 3,3-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-05-31 | — | — | EP | disclosed |
| WO-1998031364-A1 | 3,3-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-07-23 | — | — | WO | disclosed |