Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.41 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL469804 | 0.92 | CES1 (0.50) | KDRLRRK2CES1CA1CA2 | |
| SCHEMBL31492060 | 0.90 | LRRK2 (0.49) | KDRLRRK2CES1CA1CA2 | |
| SCHEMBL30082282 | 0.90 | LRRK2 (0.57) | KDRLRRK2CES1CA1CA2 | |
| SCHEMBL31491997 | 0.90 | LRRK2 (0.57) | KDRLRRK2CES1CA1CA2 | |
| SCHEMBL23764672 | 0.90 | LRRK2 (0.57) | KDRLRRK2CES1CA1CA2 | |
| SCHEMBL469808 | 0.87 | KDR (0.66) | KDRLRRK2CA1CA2CA12 | |
| SCHEMBL457948 | 0.86 | CES1 (0.47) | KDRCES1MAPTALDH1A1KDM4E | |
| SCHEMBL13061642 | 0.85 | KDR (0.50) | KDRLRRK2CA1CA2CA12 | |
| SCHEMBL31492111 | 0.85 | KDR (0.50) | KDRLRRK2CA1CA2CA12 | |
| SCHEMBL10085224 | 0.82 | CA1 (0.52) | KDRLRRK2CA1CA2CA12 |
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 |