Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 8/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2877739 | 0.87 | MAPT (0.51) | MAPTKMT2AALDH1A1MEN1GAA | |
| SCHEMBL455315 | 0.85 | KDR (0.52) | CYP1A2CYP2C19MAPTKMT2AALDH1A1 | |
| SCHEMBL2877863 | 0.85 | ALDH1A1 (0.46) | CYP1A2CYP2C19MAPTKMT2AALDH1A1 | |
| SCHEMBL457421 | 0.84 | LRRK2 (0.42) | CYP1A2CYP2C19MAPTKMT2AALDH1A1 | |
| SCHEMBL14075826 | 0.84 | MAPT (0.56) | CYP1A2CYP2C19MAPTKMT2AALDH1A1 | |
| SCHEMBL455312 | 0.84 | MAPT (0.42) | MAPTKMT2AALDH1A1MEN1HTT | |
| SCHEMBL470031 | 0.84 | MAPT (0.56) | CYP1A2CYP2C19MAPTKMT2AALDH1A1 | |
| SCHEMBL455695 | 0.84 | SLC2A1 (0.44) | MAPTKMT2AALDH1A1MEN1HTT | |
| SCHEMBL455238 | 0.84 | RAB9A (0.44) | MAPTALDH1A1GAARAB9ANPC1 | |
| SCHEMBL456490 | 0.84 | KDM4E (0.43) | CYP1A2CYP2C19MAPTKMT2AALDH1A1 |
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 |