Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.46 |
| ▸ | SMPD3 | Q9NY59 | 9/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21319511 | 0.88 | SMPD3 (0.45) | PARP1SMPD3PDE10A | |
| SCHEMBL20119441 | 0.83 | SMPD3 (0.51) | PARP1SMPD3IRAK4PDE10A | |
| SCHEMBL20119432 | 0.82 | NPC1 (0.48) | PARP1SMPD3PDE10A | |
| SCHEMBL20119112 | 0.79 | SMPD3 (0.47) | PARP1SMPD3IRAK4PDE10A | |
| SCHEMBL21319488 | 0.77 | SMPD3 (0.50) | PARP1SMPD3IRAK4PDE10A | |
| SCHEMBL29768071 | 0.75 | IRAK4 (0.46) | PARP1SMPD3IRAK4PDE10A | |
| SCHEMBL20119340 | 0.75 | SMPD3 (0.51) | PARP1SMPD3PDE10A | |
| SCHEMBL18817179 | 0.74 | SMPD3 (0.52) | PARP1SMPD3PDE10A | |
| SCHEMBL20119429 | 0.74 | SMPD3 (0.47) | PARP1SMPD3PDE10A | |
| SCHEMBL21313063 | 0.74 | NTRK1 (0.66) | — |
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-3533796-B1 | AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2021-09-29 | — | — | EP | disclosed |
| WO-2018077246-A1 | AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-05-03 | — | — | WO | disclosed |