Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19364740 | 1.00 | CTSK (0.35) | CTSKCTSSEPHX1CA1CA2 | |
| SCHEMBL19364767 | 0.86 | CTSK (0.39) | CTSKCTSSEPHX1CA1CA2 | |
| SCHEMBL19364777 | 0.85 | CA12 (0.33) | CTSKCTSSEPHX1CA1CA2 | |
| SCHEMBL8915388 | 0.83 | CTSK (0.37) | CTSKCTSSEPHX1CA1CA2 | |
| SCHEMBL15355010 | 0.83 | CTSK (0.37) | CTSKCTSSEPHX1CA1CA2 | |
| SCHEMBL8921735 | 0.83 | CTSK (0.37) | CTSKCTSSEPHX1CA1CA2 | |
| SCHEMBL14923684 | 0.82 | CTSK (0.55) | CTSKCTSSCA1CA2 | |
| SCHEMBL19364687 | 0.82 | ECE1 (0.33) | EPHX1CTSD | |
| SCHEMBL19364721 | 0.80 | ALDH1A1 (0.35) | EPHX1ALDH1A1TSHR | |
| SCHEMBL13993116 | 0.77 | CA1 (0.41) | CTSKCTSSEPHX1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9765087-B2 | Benzimidazole derivatives | ENANTA PHARMACEUTICALS, INC. (US) | 2017-09-19 | — | — | US | disclosed |