Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 2/20 | 0.77 |
| ▸ | CDC25B | P30305 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | RECQL | P46063 | 2/20 | 0.52 |
| ▸ | CASP6 | P55212 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.52 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.52 |
| ▸ | PRNP | P04156 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL8427336 | 0.88 | TYMS (1.00) | TYMSALDH1A1L3MBTL1POLBKDM4E | |
| SCHEMBL30714778 | 0.88 | TYMS (1.00) | TYMSALDH1A1L3MBTL1POLBKDM4E | |
| SCHEMBL11345025 | 0.85 | TYMS (0.71) | TYMSCDC25BALDH1A1L3MBTL1POLB | |
| SCHEMBL11350890 | 0.78 | TYMS (0.49) | TYMSCDC25BALDH1A1L3MBTL1POLB | |
| SCHEMBL475960 | 0.77 | TYMS (0.79) | TYMSALDH1A1L3MBTL1POLBKDM4E | |
| Phthalic Acid SCHEMBL3182238 | 0.77 | ALDH1A1 (0.64) | TYMSALDH1A1L3MBTL1KDM4ETDP1 | |
| SCHEMBL17916072 | 0.77 | TYMS (0.63) | TYMSALDH1A1L3MBTL1POLBKDM4E | |
| SCHEMBL7841346 | 0.76 | TYMS (0.73) | TYMSALDH1A1L3MBTL1POLBKDM4E | |
| SCHEMBL11352753 | 0.76 | TYMS (0.62) | TYMSALDH1A1L3MBTL1POLBKDM4E | |
| SCHEMBL17726880 | 0.75 | TYMS (0.66) | TYMSALDH1A1L3MBTL1POLBKDM4E |
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-2017162661-A1 | 1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-09-28 | — | — | WO | disclosed |