Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.30 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3295069 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL28275355 | 0.84 | — | — | |
| SCHEMBL11877539 | 0.73 | CYP1A2 (0.38) | CYP1A2HDAC8HDAC6GRIN2DGRIN3B | |
| Dalfampridine SCHEMBL28091367 | 0.73 | MAPT (0.46) | MAPTAURKAAURKBINCENP | |
| SCHEMBL28914873 | 0.70 | DAO (0.32) | HDAC8HDAC6DAO | |
| SCHEMBL1587572 | 0.70 | DAO (0.32) | HDAC8HDAC6DAO | |
| SCHEMBL11712560 | 0.69 | CYP1A2 (0.35) | CYP1A2HDAC8HDAC6 | |
| SCHEMBL28863955 | 0.69 | — | — | |
| SCHEMBL8526058 | 0.69 | DAO (0.30) | HDAC8HDAC6DAOAURKAAURKB | |
| SCHEMBL10366551 | 0.67 | DAO (0.37) | HDAC8HDAC6GRIN2DGRIN3BGRIN1 |
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-109369538-A | N-difluoromethyl azole thiourea (selenium) derivative and preparation method thereof | 华南农业大学 | 2019-02-22 | — | — | CN | disclosed |