Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL11485140 | 0.78 | HTR2A (0.44) | HDAC6HDAC1HTR2AHTR2CHTR2B | |
| SCHEMBL7711222 | 0.78 | MTNR1A (0.44) | HDAC6HDAC1HTR2AHTR2CHTR2B | |
| SCHEMBL4509202 | 0.78 | HDAC6 (0.46) | HDAC6HDAC1HTR2AHTR2CHTR2B | |
| SCHEMBL16671108 | 0.75 | CYP11B2 (0.61) | CYP11B2 | |
| SCHEMBL29489948 | 0.75 | CYP11B2 (0.61) | CYP11B2 | |
| SCHEMBL10094120 | 0.74 | JAK2 (0.49) | HDAC6HDAC1HTR2AHTR2CHTR2B | |
| SCHEMBL13180253 | 0.74 | HDAC6 (0.52) | HDAC6HDAC1HTR2AHTR2CHTR2B | |
| SCHEMBL8981901 | 0.74 | HDAC6 (0.43) | HDAC6HDAC1HTR2AHTR2CHTR2B | |
| SCHEMBL6980295 | 0.74 | HDAC6 (0.40) | HDAC6HDAC1HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL30640657 | 0.74 | CYP11B2 (0.60) | CYP11B2 |
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-110078743-A | Novel imidazoles-acyclic derivatives as modulators of kinase activity | 默克专利有限公司 | 2019-08-02 | — | — | CN | disclosed |