Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | GCK | P35557 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21375791 | 1.00 | HDAC1 (0.41) | HDAC1NAMPTGRIN2BGSK3BDYRK1A | |
| SCHEMBL29636747 | 1.00 | HDAC1 (0.41) | HDAC1NAMPTGRIN2BGSK3BDYRK1A | |
| SCHEMBL12143915 | 0.86 | HDAC1 (0.40) | HDAC1NAMPTGRIN2BGSK3BDYRK1A | |
| SCHEMBL479056 | 0.86 | NAMPT (0.43) | HDAC1NAMPTGRIN2BGSK3BDYRK1A | |
| SCHEMBL28849745 | 0.84 | NAMPT (0.42) | HDAC1NAMPTGRIN2BGSK3BDYRK1A | |
| SCHEMBL19398230 | 0.82 | RAB9A (0.45) | HDAC1NAMPTGRIN2BGSK3BDYRK1A | |
| SCHEMBL21355211 | 0.79 | RAB9A (0.46) | HDAC1GCKRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL21355214 | 0.79 | RAB9A (0.46) | HDAC1GCKRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL31737264 | 0.78 | GSK3B (0.45) | HDAC1NAMPTGRIN2BGSK3BDYRK1A | |
| SCHEMBL596259 | 0.78 | HDAC3 (0.50) | HDAC1NAMPTMAPKAPK2MIFRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112135825-A | Plasma kallikrein inhibitors and uses thereof | 夏尔人类遗传性治疗公司 | 2020-12-25 | — | — | CN | disclosed |