Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 6/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7931953 | 1.00 | RIPK1 (0.38) | RIPK1HTR2AHTR2CHTR2BPDE5A | |
| SCHEMBL7494824 | 0.87 | HRH3 (0.38) | RIPK1 | |
| SCHEMBL7938511 | 0.87 | HRH3 (0.38) | RIPK1 | |
| SCHEMBL7931974 | 0.86 | RIPK1 (0.41) | RIPK1HTR2AHTR2CHTR2BPDE5A | |
| SCHEMBL7495801 | 0.86 | RIPK1 (0.41) | RIPK1HTR2AHTR2CHTR2BPDE5A | |
| SCHEMBL7546567 | 0.83 | NTRK1 (0.40) | RIPK1HTR2AHTR2CHTR2BPDE5A | |
| SCHEMBL7552882 | 0.83 | CCR5 (0.41) | RIPK1HTR2AHTR2CHTR2BPDE5A | |
| SCHEMBL7500876 | 0.83 | CCR5 (0.41) | RIPK1HTR2AHTR2CHTR2BPDE5A | |
| SCHEMBL7940925 | 0.83 | CCR5 (0.41) | RIPK1HTR2AHTR2CHTR2BPDE5A | |
| SCHEMBL7545366 | 0.81 | CCR5 (0.49) | RIPK1PDE5ADPP4CCR5 |
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-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |