Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 10/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7494073 | 0.89 | ALDH1A1 (0.49) | S1PR3S1PR1CCR5SMYD3SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL7505068 | 0.81 | CCR5 (0.43) | CCR5SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL5763412 | 0.79 | CDK2 (0.45) | — | |
| Trifluoroacetic Acid SCHEMBL7547215 | 0.79 | CDK2 (0.45) | — | |
| SCHEMBL7502186 | 0.79 | CCR5 (0.47) | S1PR3S1PR1CCR5SMYD3SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL5764463 | 0.76 | CCR5 (0.49) | CCR5 | |
| Trifluoroacetic Acid SCHEMBL7546206 | 0.76 | CCR5 (0.49) | CCR5 | |
| Trifluoroacetic Acid SCHEMBL5634465 | 0.72 | ALPL (0.41) | SMN1; SMN2 | |
| SCHEMBL7500058 | 0.71 | SMN1; SMN2 (0.54) | CCR5SMN1; SMN2TDP1 | |
| Trifluoroacetic Acid SCHEMBL8528751 | 0.71 | SLC18A3 (0.69) | SMN1; SMN2 |
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 |