Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | F12 | P00748 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.46 |
| ▸ | F3 | P13726 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzamidoxime SCHEMBL194059 | 0.97 | HDAC8 (0.50) | ALOX15IDO1HDAC8HDAC1HDAC3 | |
| SCHEMBL20471083 | 0.84 | TSHR (0.58) | ALOX15IDO1HDAC8HDAC1HDAC3 | |
| SCHEMBL1009424 | 0.83 | WDR5 (0.56) | HDAC8HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL12348299 | 0.83 | HSD17B10 (0.36) | ALOX15IDO1HDAC8HDAC1HDAC3 | |
| Benzamidoxime SCHEMBL30452573 | 0.80 | HDAC8 (0.44) | ALOX15IDO1HDAC8HDAC1HDAC3 | |
| SCHEMBL29788167 | 0.78 | HDAC8 (0.61) | HDAC8PRSS1PRSS2PRSS3 | |
| SCHEMBL16697738 | 0.78 | MMP1 (0.51) | HDAC8CA1F2F10PRSS1 | |
| SCHEMBL5067711 | 0.78 | F2 (0.50) | ALOX15IDO1HDAC8HDAC1HDAC3 | |
| SCHEMBL3198029 | 0.78 | F2 (0.50) | ALOX15IDO1HDAC8HDAC1HDAC3 | |
| SCHEMBL4403830 | 0.75 | TSHR (0.57) | ALOX15CA12CA1CA9CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106146487-B | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its preparation method and application | 北京大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106146487-A | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its production and use | 北京大学 | 2016-11-23 | — | — | CN | disclosed |