Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL11572610 | 1.00 | ADORA2A (0.40) | ADORA2AADORA3ADORA2BADORA1CASP1 | |
| SCHEMBL11102332 | 0.85 | HRH4 (0.38) | ADORA2AADORA2BADORA1CASP1KDM4E | |
| SCHEMBL9488393 | 0.77 | CASP1 (0.65) | ADORA2AADORA3ADORA2BADORA1CASP1 | |
| SCHEMBL8141652 | 0.77 | CASP1 (0.65) | ADORA2AADORA3ADORA2BADORA1CASP1 | |
| SCHEMBL821896 | 0.77 | CASP1 (0.65) | ADORA2AADORA3ADORA2BADORA1CASP1 | |
| SCHEMBL11408908 | 0.77 | CASP1 (0.65) | ADORA2AADORA3ADORA2BADORA1CASP1 | |
| SCHEMBL821678 | 0.77 | CASP1 (0.65) | ADORA2AADORA3ADORA2BADORA1CASP1 | |
| SCHEMBL113501 | 0.77 | CASP1 (0.65) | ADORA2AADORA3ADORA2BADORA1CASP1 | |
| SCHEMBL21327780 | 0.77 | CASP1 (0.65) | ADORA2AADORA3ADORA2BADORA1CASP1 | |
| SCHEMBL379144 | 0.77 | CASP1 (0.65) | ADORA2AADORA3ADORA2BADORA1CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0003814-A2 | Penicillins, their salts, process for their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1979-09-05 | — | — | EP | disclosed |