Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.60 |
| ▸ | TACR2 | P21452 | 3/20 | 0.53 |
| ▸ | TACR3 | P29371 | 3/20 | 0.53 |
| ▸ | CCR5 | P51681 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8300796 | 0.95 | TACR1 (0.59) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8589071 | 0.91 | TACR1 (0.52) | TACR1TACR2TACR3 | |
| SCHEMBL8484370 | 0.91 | TACR1 (0.50) | TACR1TACR2 | |
| SCHEMBL7817874 | 0.90 | TACR1 (0.54) | TACR1 | |
| SCHEMBL4631281 | 0.87 | TACR1 (0.45) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL7956549 | 0.86 | TACR1 (0.49) | TACR1CCR5 | |
| SCHEMBL8970672 | 0.84 | TACR1 (0.47) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8707339 | 0.82 | TACR1 (0.43) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8567221 | 0.82 | TACR1 (0.51) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL4630790 | 0.82 | TACR1 (0.44) | TACR1TACR2TACR3CCR5 |
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-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 |