Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.54 |
| ▸ | PIK3CG | P48736 | 9/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 8/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 8/20 | 0.45 |
| ▸ | SMPD3 | Q9NY59 | 4/20 | 0.44 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.44 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20119118 | 0.92 | HSD11B1 (0.54) | HSD11B1PIK3CGPIK3CDPIK3CASMPD3 | |
| SCHEMBL20119112 | 0.83 | SMPD3 (0.47) | SMPD3PARP1 | |
| SCHEMBL20119368 | 0.81 | SMPD3 (0.43) | PIK3CGPIK3CDPIK3CASMPD3PARP1 | |
| SCHEMBL18817179 | 0.81 | SMPD3 (0.52) | SMPD3HSD17B10PARP1 | |
| SCHEMBL400998 | 0.81 | HTT (0.44) | PIK3CGPIK3CDPIK3CAKMT2AUSP2 | |
| SCHEMBL20119340 | 0.80 | SMPD3 (0.51) | SMPD3PARP1 | |
| SCHEMBL20119441 | 0.80 | SMPD3 (0.51) | SMPD3PARP1 | |
| SCHEMBL21319488 | 0.79 | SMPD3 (0.50) | SMPD3PARP1 | |
| SCHEMBL21579864 | 0.78 | NTRK1 (0.67) | — | |
| SCHEMBL20119365 | 0.78 | SMPD3 (0.41) | PIK3CGPIK3CDPIK3CASMPD3KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |