Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1938816 | 0.81 | NPC1 (0.51) | CCR1CCR5CCR8MAPKAPK2IDO1 | |
| SCHEMBL12303171 | 0.81 | CCR1 (0.57) | CCR1CCR5CCR8MAPKAPK2HSP90AA1 | |
| SCHEMBL12390293 | 0.81 | KDM1A (0.51) | CCR1CCR5CCR8MAPKAPK2IDO1 | |
| SCHEMBL27266767 | 0.81 | MAPKAPK2 (0.43) | MAPKAPK2HSP90AA1HSP90AB1IDO1CYP19A1 | |
| SCHEMBL27893662 | 0.81 | ASIC3 (0.56) | MAPKAPK2HSP90AA1HSP90AB1IDO1CYP19A1 | |
| SCHEMBL4761 | 0.81 | SMN1; SMN2 (0.46) | MAPKAPK2HSP90AA1HSP90AB1IDO1CYP19A1 | |
| SCHEMBL827247 | 0.78 | CCR1 (0.48) | CCR1CCR5CCR8CYP1A2ALOX15 | |
| SCHEMBL10939790 | 0.77 | CYP1A2 (0.58) | HSP90AA1HSP90AB1IDO1CYP19A1CYP1A2 | |
| SCHEMBL550149 | 0.77 | GRM5 (0.59) | CCR1CCR5CCR8HSP90AA1IDO1 | |
| SCHEMBL23024874 | 0.77 | CCR1 (0.40) | CCR1CCR5CCR8CYP1A2CYP2C19 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1698627-A1 | Pyrazole compounds useful as protein kinase inhibitors | Vertex Pharmaceuticals Incorporated (US) | 2006-09-06 | — | — | EP | disclosed |
| EP-1318997-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-06-18 | — | — | EP | disclosed |
| EP-1318814-A2 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-06-18 | — | — | EP | disclosed |
| EP-1317449-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-06-11 | — | — | EP | disclosed |
| EP-1317444-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-06-11 | — | — | EP | disclosed |
| EP-1317447-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-06-11 | — | — | EP | disclosed |
| EP-1317452-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-06-11 | — | — | EP | disclosed |
| EP-1317450-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-06-11 | — | — | EP | disclosed |
| EP-1317448-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002022604-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-03-21 | — | — | WO | disclosed |
| WO-2002022608-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-03-21 | — | — | WO | disclosed |
| WO-2002022603-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-03-21 | — | — | WO | disclosed |
| WO-2002022607-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-03-21 | — | — | WO | disclosed |
| WO-2002022605-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-03-21 | — | — | WO | disclosed |
| WO-2002022602-A2 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-03-21 | — | — | WO | disclosed |
| WO-2002022606-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-03-21 | — | — | WO | disclosed |
| WO-2002022601-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-03-21 | — | — | WO | disclosed |