Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 15/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 8/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13737141 | 1.00 | HDAC3 (0.44) | HDAC3HDAC1HDAC2HDAC6PARP15 | |
| SCHEMBL14667236 | 0.84 | HDAC1 (0.57) | HDAC3HDAC1HDAC2HDAC6MAPK8 | |
| SCHEMBL13735187 | 0.82 | MAPK8 (0.60) | HDAC3HDAC1HDAC2HDAC6MAPK8 | |
| SCHEMBL13735184 | 0.82 | MAPK8 (0.60) | HDAC3HDAC1HDAC2HDAC6MAPK8 | |
| SCHEMBL21161949 | 0.79 | MAPK8 (0.69) | MAPK8MAPK9SYK | |
| SCHEMBL29761508 | 0.79 | MAPK8 (0.55) | HDAC3HDAC1HDAC2HDAC6MAPK8 | |
| SCHEMBL17088451 | 0.78 | MAPK8 (0.66) | MAPK8MAPK9 | |
| SCHEMBL14658317 | 0.78 | MAPK8 (0.66) | MAPK8MAPK9 | |
| SCHEMBL17088493 | 0.78 | MAPK8 (0.66) | MAPK8MAPK9 | |
| SCHEMBL14658313 | 0.78 | MAPK8 (0.66) | MAPK8MAPK9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2699553-A1 | SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | Signal Pharmaceuticals, LLC (US) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012145569-A1 | SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARMACEUTICALS, LLC (US) | 2012-10-26 | — | — | WO | disclosed |