Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 5/20 | 0.42 |
| ▸ | DRD4 | P21917 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7544127 | 0.80 | CCR5 (0.54) | CCR5ACHEPOLBTDP1DRD2 | |
| SCHEMBL7547655 | 0.77 | CCR5 (0.56) | CCR5ACHEPOLBTDP1DRD2 | |
| SCHEMBL7493953 | 0.72 | DRD2 (0.46) | CCR5ACHEDRD2DRD4DRD3 | |
| SCHEMBL5764111 | 0.72 | CCR5 (0.54) | CCR5ACHEPOLBTDP1DRD2 | |
| SCHEMBL7500129 | 0.68 | ACHE (0.46) | CCR5ACHEDRD2DRD4DRD3 | |
| SCHEMBL8572563 | 0.67 | POLB (0.48) | ACHEPOLBTDP1DRD2DRD4 | |
| SCHEMBL8274394 | 0.67 | LMNA (0.52) | ACHEDRD2DRD4DRD3MEN1 | |
| SCHEMBL8097472 | 0.66 | SIGMAR1 (0.72) | ACHEPOLBDRD2DRD4CCR3 | |
| SCHEMBL6744977 | 0.66 | SIGMAR1 (0.72) | ACHEPOLBDRD2DRD4CCR3 | |
| SCHEMBL5633507 | 0.66 | ACHE (0.54) | ACHEPOLBTDP1DRD2DRD4 |
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 |