Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.55 |
| ▸ | PDK1 | Q15118 | 8/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 8/20 | 0.53 |
| ▸ | PDK3 | Q15120 | 8/20 | 0.53 |
| ▸ | PDK4 | Q16654 | 8/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.49 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL15711989 | 0.85 | HDAC1 (0.55) | PTGS1PDK1PDK2PDK3PDK4 | |
| SCHEMBL3846828 | 0.85 | PTGS1 (0.58) | PTGS1PDK1PDK2PDK3PDK4 | |
| SCHEMBL2733296 | 0.85 | CETP (0.61) | PTGS1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8909870 | 0.82 | PTGS1 (0.55) | PTGS1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8910665 | 0.82 | PTGS1 (0.55) | PTGS1PDK1PDK2PDK3PDK4 | |
| SCHEMBL11394941 | 0.79 | PTGS1 (0.53) | PTGS1PDK1PDK2PDK3PDK4 | |
| SCHEMBL12963094 | 0.79 | LMNA (0.57) | PTGS1HDAC1HDAC3HDAC2MAPK1 | |
| SCHEMBL20757681 | 0.78 | PTGS1 (0.45) | PTGS1PDK1PDK2PDK3PDK4 | |
| Trifluoroacetic Acid SCHEMBL3600531 | 0.76 | HDAC1 (0.54) | PTGS1HDAC1HDAC3HDAC2MAPK1 | |
| SCHEMBL463597 | 0.75 | ALDH1A1 (0.61) | PTGS1HDAC1HDAC3HDAC2MAPK1 |
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-2011101429-A1 | PYRIDO[3,2-D]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-25 | — | — | WO | disclosed |