Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 7/20 | 0.43 |
| ▸ | GRM5 | P41594 | 6/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | GPR4 | P46093 | 1/20 | 0.43 |
| ▸ | EED | O75530 | 3/20 | 0.42 |
| ▸ | RBBP4 | Q09028 | 3/20 | 0.42 |
| ▸ | SUZ12 | Q15022 | 3/20 | 0.42 |
| ▸ | EZH2 | Q15910 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL12523749 | 0.78 | NAMPT (0.53) | PDK4JAK1GRM1GRM5CYP11B2 | |
| SCHEMBL30061043 | 0.76 | PDK4 (0.56) | PDK4JAK1GRM1GRM5HTR6 | |
| SCHEMBL12713080 | 0.74 | PDK4 (0.58) | PDK4JAK1GRM1GRM5HTR6 | |
| SCHEMBL7553272 | 0.74 | GPR119 (0.49) | GPR4KDM4E | |
| SCHEMBL13473291 | 0.74 | CYP11B2 (0.61) | PDK4JAK1GRM1GRM5CYP11B2 | |
| SCHEMBL24265179 | 0.73 | CYP11B2 (0.48) | PDK4JAK1GRM1GRM5CYP11B2 | |
| SCHEMBL31640027 | 0.73 | PDK4 (0.52) | PDK4JAK1GRM1GRM5EED | |
| SCHEMBL1804728 | 0.72 | PDK4 (0.51) | PDK4JAK1GRM1GRM5CYP11B2 | |
| SCHEMBL31180227 | 0.72 | PDK4 (0.53) | PDK4JAK1GRM1GRM5HTR6 | |
| SCHEMBL23305954 | 0.72 | PDK4 (0.51) | PDK4JAK1GRM1GRM5CYP11B2 |
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 |