Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.46 |
| ▸ | CCR3 | P51677 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 6/20 | 0.44 |
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 6/20 | 0.43 |
| ▸ | DRD3 | P35462 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7493953 | 0.74 | DRD2 (0.46) | ACHECCR3BCHEDRD4CCR5 | |
| SCHEMBL7500133 | 0.72 | HRH3 (0.48) | SIGMAR1 | |
| SCHEMBL5764111 | 0.72 | CCR5 (0.54) | ACHECCR3DRD4CCR5CXCR4 | |
| SCHEMBL7547655 | 0.70 | CCR5 (0.56) | ACHECCR3DRD4CCR5CXCR4 | |
| SCHEMBL1002852 | 0.69 | MEN1 (0.81) | ACHECCR3DRD4CCR5MEN1 | |
| SCHEMBL27208751 | 0.68 | DRD4 (0.60) | DRD4KMT2ADRD2DRD3 | |
| SCHEMBL2710149 | 0.67 | ACHE (0.57) | ACHECCR3BCHEDRD4MEN1 | |
| SCHEMBL21553759 | 0.67 | DRD4 (0.57) | ACHECCR3BCHEDRD4CXCR4 | |
| SCHEMBL12068366 | 0.67 | ACHE (0.57) | ACHECCR3DRD4MEN1KMT2A | |
| SCHEMBL17803030 | 0.67 | DRD4 (0.57) | ACHECCR3BCHEDRD4CXCR4 |
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 |