Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.33 |
| ▸ | MAPT | P10636 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL469979 | 0.84 | LRRK2 (0.45) | KMT2AMAPTMEN1KDM4ENPC1 | |
| SCHEMBL456638 | 0.84 | MAOA (0.34) | MAOAMAOBKMT2AMAPTALDH1A1 | |
| SCHEMBL2877863 | 0.83 | ALDH1A1 (0.46) | KMT2AMAPTALDH1A1MEN1LMNA | |
| SCHEMBL2877739 | 0.76 | MAPT (0.51) | MAOAMAOBKMT2AMAPTALDH1A1 | |
| SCHEMBL456909 | 0.76 | BCHE (0.43) | KMT2AMAPTALDH1A1MEN1LMNA | |
| SCHEMBL456490 | 0.76 | KDM4E (0.43) | KMT2AMAPTALDH1A1MEN1LMNA | |
| SCHEMBL456579 | 0.74 | ALDH1A1 (0.51) | KMT2AMAPTALDH1A1MEN1TDP1 | |
| SCHEMBL456344 | 0.74 | KMT2A (0.50) | MAOAMAOBKMT2AMAPTALDH1A1 | |
| SCHEMBL457313 | 0.74 | TDP1 (0.56) | MAOAMAOBKMT2AMAPTALDH1A1 | |
| SCHEMBL454941 | 0.74 | ALDH1A1 (0.46) | MAOBKMT2AMAPTALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-2240175-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) | 2010-10-20 | — | — | EP | 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 |