Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 4/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 7/20 | 0.47 |
| ▸ | DRD4 | P21917 | 6/20 | 0.47 |
| ▸ | DRD3 | P35462 | 5/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL5764111 | 0.90 | CCR5 (0.54) | CCR5CXCR4POLBTDP1ACHE | |
| SCHEMBL7545344 | 0.84 | CCR5 (0.47) | CCR5KMT2A | |
| Hydrochloric Acid SCHEMBL7547701 | 0.82 | CCR5 (0.47) | CCR5KMT2AALDH1A1 | |
| SCHEMBL7547655 | 0.81 | CCR5 (0.56) | CCR5CXCR4POLBTDP1ACHE | |
| SCHEMBL7544127 | 0.77 | CCR5 (0.54) | CCR5CXCR4POLBTDP1ACHE | |
| SCHEMBL5762775 | 0.73 | POLB (0.46) | POLBTDP1ACHEDRD2DRD4 | |
| SCHEMBL5765759 | 0.72 | CCR5 (0.47) | CCR5KMT2ASIGMAR1ALDH1A1 | |
| SCHEMBL17266338 | 0.72 | CCR5 (0.88) | CCR5CXCR4POLBTDP1ACHE | |
| SCHEMBL17262691 | 0.70 | DRD2 (0.56) | CCR5CXCR4POLBTDP1ACHE | |
| SCHEMBL8572563 | 0.70 | POLB (0.48) | POLBTDP1ACHEDRD2DRD4 |
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 |