Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HSPA9 | P38646 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL457328 | 0.92 | CES1 (0.50) | CES1MAPTALDH1A1KDM4ETDP1 | |
| SCHEMBL455315 | 0.87 | KDR (0.52) | MAPTALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL469844 | 0.86 | KDR (0.50) | CES1MAPTALDH1A1KDM4ETDP1 | |
| SCHEMBL456608 | 0.82 | CYP1A2 (0.49) | MAPTALDH1A1KDM4ETDP1L3MBTL1 | |
| SCHEMBL457611 | 0.82 | ALDH1A1 (0.47) | MAPTALDH1A1KDM4ETDP1L3MBTL1 | |
| SCHEMBL469804 | 0.78 | CES1 (0.50) | CES1MAPTALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL454941 | 0.77 | ALDH1A1 (0.46) | MAPTALDH1A1LMNAGAAMEN1 | |
| SCHEMBL31492060 | 0.77 | LRRK2 (0.49) | CES1MAPTKDM4EL3MBTL1HSPA9 | |
| SCHEMBL23764672 | 0.76 | LRRK2 (0.57) | CES1MAPTKDM4EL3MBTL1HSPA9 | |
| SCHEMBL31491997 | 0.76 | LRRK2 (0.57) | CES1MAPTKDM4EL3MBTL1HSPA9 |
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 |