Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | REN | P00797 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3824368 | 0.92 | CCR5 (0.42) | CCR5DPP4NFKB1NFKB2RELA | |
| SCHEMBL15236488 | 0.85 | CCR5 (0.40) | CCR5DPP4NFKB1NFKB2RELA | |
| SCHEMBL10343966 | 0.85 | CCR5 (0.40) | CCR5DPP4NFKB1NFKB2RELA | |
| SCHEMBL4433311 | 0.85 | CCR5 (0.40) | CCR5DPP4NFKB1NFKB2RELA | |
| SCHEMBL8903234 | 0.84 | DPP4 (0.33) | CCR5DPP4REN | |
| SCHEMBL8712823 | 0.84 | DPP4 (0.33) | CCR5DPP4REN | |
| SCHEMBL8905118 | 0.84 | DPP4 (0.33) | DPP4 | |
| SCHEMBL8905115 | 0.84 | DPP4 (0.33) | DPP4 | |
| SCHEMBL25143617 | 0.83 | CCR5 (0.41) | CCR5NFKB1NFKB2RELAGPR119 | |
| SCHEMBL30201820 | 0.83 | CCR5 (0.41) | CCR5NFKB1NFKB2RELAGPR119 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2124951-A1 | 5-CYAN0-4- (PYRROLO Ý2, 3B¨PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079346-A1 | 5-CYAN0-4- (PYRROLO [2, 3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-07-03 | — | — | WO | disclosed |