Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.41 |
| ▸ | CTSK | P43235 | 5/20 | 0.41 |
| ▸ | CTSB | P07858 | 5/20 | 0.41 |
| ▸ | CTSL | P07711 | 4/20 | 0.41 |
| ▸ | HPGDS | O60760 | 4/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
| ▸ | CTSV | O60911 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19262696 | 0.87 | FFAR1 (0.38) | — | |
| SCHEMBL15235745 | 0.85 | — | — | |
| SCHEMBL254686 | 0.84 | MMP2 (0.39) | CTSSCTSKCTSBCTSLHPGDS | |
| SCHEMBL201669 | 0.82 | L3MBTL1 (0.43) | CTSSCTSKCTSBCTSLHDAC1 | |
| SCHEMBL1109563 | 0.79 | HPGDS (0.49) | CTSSCTSKCTSBCTSLHPGDS | |
| SCHEMBL1109289 | 0.78 | ROCK2 (0.39) | HDAC1 | |
| SCHEMBL19262836 | 0.77 | CTSK (0.35) | CTSK | |
| SCHEMBL11273085 | 0.76 | CA2 (0.52) | — | |
| SCHEMBL11273089 | 0.76 | CA2 (0.52) | — | |
| SCHEMBL15235744 | 0.76 | — | — |
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 |