Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9547489 | 0.81 | CES2 (0.53) | CES2CES1PLK1CA1CA2 | |
| SCHEMBL2705457 | 0.81 | HDAC1 (0.44) | CES2CES1HDAC3HDAC4HDAC1 | |
| SCHEMBL828942 | 0.77 | HDAC3 (0.44) | CES2CES1HDAC3HDAC4HDAC1 | |
| SCHEMBL9416245 | 0.77 | RAB9A (0.47) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL237978 | 0.74 | CES2 (0.52) | CES2CES1CA1CA2PARP1 | |
| SCHEMBL9416228 | 0.73 | CES2 (0.48) | CES2CES1HDAC1HDAC8GSK3B | |
| SCHEMBL9416250 | 0.73 | MAPT (0.67) | CES2CES1CA1CA2HDAC3 | |
| SCHEMBL5192809 | 0.72 | NPC1 (0.50) | CES2CES1CA1CA2PARP1 | |
| SCHEMBL505810 | 0.72 | HDAC3 (0.68) | CES2CES1CA1CA2HDAC3 | |
| SCHEMBL10908525 | 0.72 | HDAC3 (0.59) | CES2CES1HDAC3HDAC4HDAC1 |
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-0601520-A1 | Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1994-06-15 | — | — | EP | disclosed |