Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.68 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.68 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.68 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.68 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.68 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.68 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.68 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.68 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | BRD4 | O60885 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL2009980 | 0.84 | MEN1 (0.72) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL14292042 | 0.83 | HDAC3 (0.68) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6835468 | 0.82 | GAA (0.61) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4201098 | 0.81 | RAB9A (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1041427 | 0.81 | RAB9A (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL13752250 | 0.81 | HDAC3 (0.64) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL17244586 | 0.81 | HDAC3 (0.64) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL22274926 | 0.81 | HSD17B10 (0.68) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL9313818 | 0.81 | GAA (0.60) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL14426831 | 0.81 | GAA (0.78) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-2013067141-A1 | N- (3- { [ (3- { [2-CHLORO-5- (METHOXY) PHENYL] AMINO} QUINOXALIN- 2 -YL) AMINO] SULFONYL} PHE NYL) - 2 -METHYLALANINAMIDE AS PHOSPHATIDYLINOSITOL 3 - KINASE INHIBITOR FOR THE TREATMENT OF LYMPHOPROLIFERATIVE MALIGNANCIES | EXELIXIS, INC. (US) | 2013-05-10 | — | — | WO | disclosed |