Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 5/20 | 0.41 |
| ▸ | ATR | Q13535 | 2/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.39 |
| ▸ | JAK1 | P23458 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.36 |
| ▸ | POLR1A | O95602 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20119368 | 0.87 | SMPD3 (0.43) | SMPD3ATRPIK3CAPARP1PIK3CD | |
| SCHEMBL20119112 | 0.82 | SMPD3 (0.47) | SMPD3ATRPARP1 | |
| SCHEMBL20119429 | 0.80 | SMPD3 (0.47) | SMPD3PARP1 | |
| SCHEMBL20795931 | 0.79 | KLKB1 (0.43) | SMPD3ATRALDH1A1 | |
| SCHEMBL21319488 | 0.79 | SMPD3 (0.50) | SMPD3PARP1 | |
| SCHEMBL21313039 | 0.78 | NTRK1 (0.59) | — | |
| SCHEMBL20119162 | 0.78 | NTRK1 (0.59) | — | |
| SCHEMBL20119453 | 0.78 | HSD11B1 (0.54) | SMPD3PIK3CAPARP1MEN1KMT2A | |
| SCHEMBL20119441 | 0.78 | SMPD3 (0.51) | SMPD3PARP1 | |
| SCHEMBL20119340 | 0.78 | SMPD3 (0.51) | SMPD3PARP1SYK |
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 |