Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RRM1 | P23921 | 1/20 | 0.42 |
| ▸ | RRM2 | P31350 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL31491968 | 0.88 | KMT2A (0.47) | GAAHPGDKMT2AMAPTMEN1 | |
| SCHEMBL13008039 | 0.88 | LRRK2 (0.46) | GAAKDRKMT2AMAPTMEN1 | |
| SCHEMBL13061635 | 0.87 | LRRK2 (0.47) | KDRKMT2AMEN1LRRK2NPC1 | |
| SCHEMBL31491974 | 0.84 | ALDH1A1 (0.53) | GAAHPGDKMT2AMAPTMEN1 | |
| SCHEMBL470016 | 0.83 | KDR (0.53) | GAAKDRKMT2AMAPTMEN1 | |
| SCHEMBL18974994 | 0.83 | LRRK2 (0.52) | GAAKDRMAPTALDH1A1LRRK2 | |
| SCHEMBL31492045 | 0.83 | LRRK2 (0.52) | GAAKDRMAPTALDH1A1LRRK2 | |
| SCHEMBL469808 | 0.82 | KDR (0.66) | GAAKDRKMT2AMAPTMEN1 | |
| SCHEMBL13008097 | 0.80 | KDR (0.54) | GAAKDRKMT2AMAPTALDH1A1 | |
| SCHEMBL23869703 | 0.80 | KDR (0.49) | GAAKDRKMT2AMEN1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240175-B1 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | US GOV HEALTH & HUMAN SERV (US) | 2013-01-02 | — | — | EP | 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 |
| WO-2009102433-A2 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2009-08-20 | — | — | WO | disclosed |