Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 7/20 | 0.55 |
| ▸ | PARP1 | P09874 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | RICTOR | Q6R327 | 1/20 | 0.44 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.44 |
| ▸ | MAPKAP1 | Q9BPZ7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11277238 | 0.85 | PIK3CG (0.55) | XDHPIK3CAMTORRICTORRPTOR | |
| SCHEMBL5237936 | 0.84 | POLB (0.54) | PARP1KDM4EGRM5MEN1MAPT | |
| SCHEMBL5234610 | 0.83 | PARP1 (0.50) | PARP1KDM4EGRM5MEN1MAPT | |
| SCHEMBL5233091 | 0.78 | TNKS (0.50) | PARP1KDM4EGRM5MAPTHSD17B10 | |
| SCHEMBL409487 | 0.77 | PIK3CD (0.51) | PARP1KDM4EGRM5MEN1MAPT | |
| SCHEMBL11271238 | 0.77 | DHFR (0.51) | PARP1KDM4EPIK3CAMTORRICTOR | |
| SCHEMBL5232552 | 0.77 | HTT (0.53) | PARP1KDM4EGRM5MAPTHTT | |
| SCHEMBL5231510 | 0.75 | PDE7A (0.64) | HTT | |
| SCHEMBL5231538 | 0.75 | PDE5A (0.57) | KDM4EHTTFGFR1FGFR2 | |
| SCHEMBL5230247 | 0.75 | POLB (0.44) | PARP1KDM4EGRM5HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315932-A | AND SULFANILAMIDES | BURROUGHS WELLCOME CO. (US) | 1982-02-16 | — | — | US | disclosed |
| US-4288365-A | 1H-PYRIMIDO(4,5-C)-1,2-DIAZEPINES | BURROUGHS WELLCOME CO. (US) | 1981-09-08 | — | — | US | disclosed |
| US-4237289-A | MICROBIOCIDES | BURROUGHS WELLCOME CO. (US) | 1980-12-02 | — | — | US | disclosed |