Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PLAT | P00750 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL5765759 | 0.90 | CCR5 (0.47) | CCR5HTTKMT2AMAP4K3GBA1 | |
| Hydrochloric Acid SCHEMBL7664333 | 0.89 | CCR5 (0.47) | CCR5HTTKMT2AMAP4K3GBA1 | |
| SCHEMBL7547655 | 0.84 | CCR5 (0.56) | CCR5KMT2APOLB | |
| SCHEMBL7545344 | 0.79 | CCR5 (0.47) | CCR5HTTKMT2AGBA1PLAT | |
| Hydrochloric Acid SCHEMBL7547701 | 0.78 | CCR5 (0.47) | CCR5HTTKMT2AGBA1ALDH1A1 | |
| SCHEMBL5764111 | 0.74 | CCR5 (0.54) | CCR5KMT2APOLB | |
| SCHEMBL5764492 | 0.68 | CCR5 (0.47) | CCR5PLATGABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL5761703 | 0.68 | GABRA1 (0.46) | CCR5HTTKMT2AGBA1GABRA1 | |
| Hydrochloric Acid SCHEMBL5762051 | 0.68 | CCR5 (0.47) | CCR5PLATGABRA1GABRB2 | |
| SCHEMBL8618811 | 0.66 | SLC6A2 (0.43) | MAP4K3GBA1GABRA1GABRB2SIGMAR1 |
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 |