Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | BAD | Q92934 | 1/20 | 0.31 |
| ▸ | P4HB | P07237 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 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 | |
|---|---|---|---|---|
| SCHEMBL13424961 | 0.83 | CTSL (0.36) | CES2CES1KEAP1CA12CA1 | |
| SCHEMBL3312433 | 0.83 | CES2 (0.55) | CES2CES1KEAP1MAOBCA1 | |
| SCHEMBL3312430 | 0.83 | CES2 (0.55) | CES2CES1KEAP1MAOBCA1 | |
| SCHEMBL3312422 | 0.83 | CES2 (0.55) | CES2CES1KEAP1MAOBCA1 | |
| SCHEMBL3315407 | 0.81 | PKM (0.41) | CES2CES1KEAP1MAOBCA12 | |
| SCHEMBL3315413 | 0.81 | PKM (0.41) | CES2CES1KEAP1MAOBCA12 | |
| SCHEMBL3315416 | 0.81 | PKM (0.41) | CES2CES1KEAP1MAOBCA12 | |
| SCHEMBL3310540 | 0.79 | CES2 (0.55) | CES2CES1KEAP1MAOBCA9 | |
| SCHEMBL3310538 | 0.79 | CES2 (0.55) | CES2CES1KEAP1MAOBCA9 | |
| SCHEMBL3310535 | 0.79 | CES2 (0.55) | CES2CES1KEAP1MAOBCA9 |
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-2010047774-A2 | INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE, METHODS OF MARKING AND USES THEREOF | THE TEXAS A & M UNIVERSITY SYSTEM (US) | 2010-04-29 | — | — | WO | disclosed |