Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HSPA9 | P38646 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.41 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL469844 | 0.92 | KDR (0.50) | CES1LRRK2CA1CA2MAPT | |
| SCHEMBL31492060 | 0.90 | LRRK2 (0.49) | CES1LRRK2CA1CA2MAPT | |
| SCHEMBL31491997 | 0.90 | LRRK2 (0.57) | CES1LRRK2CA1CA2MAPT | |
| SCHEMBL23764672 | 0.90 | LRRK2 (0.57) | CES1LRRK2CA1CA2MAPT | |
| SCHEMBL30082282 | 0.90 | LRRK2 (0.57) | CES1LRRK2CA1CA2MAPT | |
| SCHEMBL457328 | 0.86 | CES1 (0.50) | CES1LRRK2CA1CA2MAPT | |
| SCHEMBL13008032 | 0.83 | KDR (0.50) | LRRK2CA1CA2MAPTKDR | |
| SCHEMBL469845 | 0.81 | AGTR1 (0.57) | CES1LRRK2CA1CA2MAPT | |
| SCHEMBL31492015 | 0.81 | KDR (0.48) | LRRK2CA1CA2MAPTKDR | |
| SCHEMBL18955405 | 0.81 | CA1 (0.64) | CES1LRRK2CA1CA2ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021162650-A1 | 5-FLUORO/5-TRIFLUOROMETHOXY-1H-INDOLE-2,3-DIONE 3-(4-PHENYLTHIOSEMICARBAZONE) DERIVATIVES AS INTERLEUKIN 1 (IL-1) ANTAGONISTS AND ANTI-PYRETIC AND/OR ANTI-INFLAMMATORY AGENTS FOR USE IN TREATING E.G. BEHÇET'S DISEASE | ISTANBUL UNIVERSITESI (TR) | 2021-08-19 | — | — | WO | disclosed |
| WO-2012033601-A1 | THIOSEMICARBAZONES WITH MDR1 - INVERSE ACTIVITY | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2012-03-15 | — | — | WO | disclosed |