Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 3/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | CTSB | P07858 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL254727 | 0.84 | CTSS (0.41) | CTSKHPGDSCTSSCTSBL3MBTL1 | |
| SCHEMBL19262836 | 0.83 | CTSK (0.35) | CTSK | |
| SCHEMBL15235744 | 0.81 | — | — | |
| SCHEMBL201669 | 0.81 | L3MBTL1 (0.43) | CTSKCTSSCTSBL3MBTL1HDAC8 | |
| SCHEMBL1912268 | 0.79 | MMP2 (0.44) | MMP2MMP9ADAM17HPGDSCTSB | |
| SCHEMBL19262696 | 0.77 | FFAR1 (0.38) | — | |
| SCHEMBL15235745 | 0.76 | — | — | |
| SCHEMBL201033 | 0.76 | HDAC3 (0.39) | L3MBTL1HDAC8HDAC3HDAC4HDAC1 | |
| SCHEMBL201034 | 0.76 | HDAC3 (0.39) | L3MBTL1HDAC8HDAC3HDAC4HDAC1 | |
| SCHEMBL5717643 | 0.75 | HPGDS (0.46) | HPGDS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |