Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21167296 | 0.80 | APP (0.36) | — | |
| SCHEMBL12524710 | 0.78 | CHRNA7 (0.41) | PARP1MAPTCYP1A2CYP2D6CYP2A6 | |
| SCHEMBL26014245 | 0.77 | IRAK4 (0.35) | MAPTCYP1A2KDM4ECYP3A4CYP2D6 | |
| SCHEMBL26596996 | 0.77 | PIK3CB (0.34) | MAPTKDM4E | |
| SCHEMBL18125589 | 0.77 | KCNH2 (0.33) | MEN1KMT2ACYP1A2KDM4ECYP3A4 | |
| SCHEMBL26433112 | 0.76 | CDK4 (0.33) | — | |
| SCHEMBL22761968 | 0.74 | GRIN2B (0.40) | MEN1KMT2ANPC1TP53MAPT | |
| SCHEMBL26433102 | 0.73 | ABL1 (0.33) | MAPT | |
| SCHEMBL21704228 | 0.73 | PARP1 (0.35) | PARP1CYP1A2CYP2A6 | |
| SCHEMBL23937881 | 0.72 | PARP1 (0.37) | PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9650379-B2 | Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2017-05-16 | — | — | US | disclosed |