Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13122997 | 0.83 | HTT (0.45) | GAAMAPTHDAC1HDAC6HTT | |
| SCHEMBL18235820 | 0.82 | GAA (0.59) | GAAMAPTHDAC1HDAC6HTT | |
| SCHEMBL28839857 | 0.81 | HTT (0.46) | GAAMAPTHDAC1HDAC6HTT | |
| SCHEMBL17310038 | 0.81 | GAA (0.55) | GAAMAPTHDAC1HDAC6HTT | |
| SCHEMBL13122968 | 0.80 | HTT (0.42) | GAAMAPTHDAC1HDAC6HTT | |
| SCHEMBL28127687 | 0.80 | GAA (0.48) | GAAMAPTKCNN4HDAC1HDAC6 | |
| SCHEMBL14822758 | 0.79 | MAPT (0.55) | GAAMAPTHDAC1HDAC6HTT | |
| SCHEMBL28149998 | 0.77 | CA12 (0.51) | GAAMAPTHDAC1HDAC6HTT | |
| SCHEMBL16969000 | 0.77 | IDO1 (0.47) | IDO1KCNN4OPRK1FAAHADORA2B | |
| SCHEMBL17316747 | 0.76 | L3MBTL1 (0.52) | IDO1KCNN4MEN1KMT2A |
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-106414429-A | Pyrazole compounds and their use as T-type calcium channel blockers | 埃科特莱茵药品有限公司 | 2017-02-15 | — | — | CN | disclosed |