Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 2/20 | 0.43 |
| ▸ | HTR6 | P50406 | 10/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.35 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.35 |
| ▸ | TAB1 | Q15750 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16698237 | 0.93 | HTR6 (0.44) | JAK1HTR6PDPK1HTR2AHTR7 | |
| SCHEMBL16698270 | 0.93 | JAK1 (0.44) | JAK1HTR6PDPK1HTR2AHTR7 | |
| SCHEMBL16698402 | 0.91 | JAK1 (0.42) | JAK1HTR6PDPK1HTR2AHTR7 | |
| SCHEMBL16697643 | 0.88 | HTR6 (0.47) | JAK1HTR6PDPK1HTR2AHTR7 | |
| SCHEMBL16703458 | 0.88 | JAK1 (0.44) | JAK1HTR6PDPK1HTR2AHTR7 | |
| SCHEMBL16697857 | 0.88 | HTR6 (0.42) | JAK1HTR6PDPK1HTR2AHTR7 | |
| SCHEMBL16697854 | 0.88 | HTR6 (0.42) | JAK1HTR6PDPK1HTR2AHTR7 | |
| SCHEMBL16697789 | 0.88 | MAP3K7 (0.49) | HTR6MAP3K7TAB1 | |
| SCHEMBL16698135 | 0.88 | JAK1 (0.43) | JAK1HTR6HTR2AHTR7L3MBTL1 | |
| SCHEMBL16703141 | 0.88 | MAP3K7 (0.41) | JAK1HTR6CA12CA1CA2 |
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-3066090-A1 | 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE | iTeos Therapeutics (BE) | 2016-09-14 | — | — | EP | disclosed |
| WO-2015067782-A1 | 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE | ITEOS THERAPEUTICS (BE) | 2015-05-14 | — | — | WO | disclosed |