Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HSPA9 | P38646 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL457948 | 0.92 | CES1 (0.47) | CES1MAPTL3MBTL1HSPA9KDM4E | |
| SCHEMBL469804 | 0.86 | CES1 (0.50) | CES1MAPTL3MBTL1HSPA9KDM4E | |
| SCHEMBL455315 | 0.79 | KDR (0.52) | MAPTKDM4ELMNAALDH1A1TP53 | |
| SCHEMBL2877739 | 0.79 | MAPT (0.51) | MAPTL3MBTL1KDM4ELMNAALDH1A1 | |
| SCHEMBL469844 | 0.78 | KDR (0.50) | CES1MAPTL3MBTL1HSPA9KDM4E | |
| SCHEMBL454941 | 0.77 | ALDH1A1 (0.46) | MAPTLMNAALDH1A1MEN1KMT2A | |
| SCHEMBL31492060 | 0.77 | LRRK2 (0.49) | CES1MAPTL3MBTL1HSPA9KDM4E | |
| SCHEMBL23764672 | 0.76 | LRRK2 (0.57) | CES1MAPTL3MBTL1HSPA9KDM4E | |
| SCHEMBL30082282 | 0.76 | LRRK2 (0.57) | CES1MAPTL3MBTL1HSPA9KDM4E | |
| SCHEMBL31491997 | 0.76 | LRRK2 (0.57) | CES1MAPTL3MBTL1HSPA9KDM4E |
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-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 |