Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 4/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27564358 | 0.84 | PTGS1 (0.43) | ALDH1A1ALOX15JAK2MAPTGAA | |
| SCHEMBL27561357 | 0.81 | TDP1 (0.34) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL27582051 | 0.81 | TDP1 (0.32) | TDP1ALDH1A1CYP3A4THRBALOX15 | |
| SCHEMBL27564357 | 0.80 | ALDH3A1 (0.46) | ALDH1A1ALOX15MAPTNPC1SMN1; SMN2 | |
| SCHEMBL27582103 | 0.80 | KDR (0.40) | ALDH1A1CASP1CYP3A4MAPTGAA | |
| SCHEMBL27561375 | 0.78 | CA2 (0.42) | THRBPTGS1PTGS2 | |
| SCHEMBL17508194 | 0.78 | TDP1 (0.54) | TDP1ALDH1A1CASP1CYP3A4THRB | |
| SCHEMBL27582035 | 0.78 | P2RY4 (0.40) | ALDH1A1CASP1MAPTGAAKDM4E | |
| SCHEMBL27561403 | 0.77 | PTGS1 (0.40) | ALDH1A1CYP3A4MAPTKDM4EPTGS1 | |
| SCHEMBL27561674 | 0.76 | AR (0.36) | MAPTGAAKDM4ESMN1; SMN2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1351498-A | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO (US) | 2002-05-29 | — | — | CN | claimed |