Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | MAPT | P10636 | 8/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL457126 | 0.87 | ALDH1A1 (0.51) | ALDH1A1MAPTSMN1; SMN2GAAHPGD | |
| SCHEMBL469971 | 0.86 | CA12 (0.49) | ALDH1A1MAPTSMN1; SMN2GAAHPGD | |
| SCHEMBL455315 | 0.84 | KDR (0.52) | ALDH1A1MAPTSMN1; SMN2GAAHPGD | |
| SCHEMBL455908 | 0.83 | RRM1 (0.44) | ALDH1A1MAPTSMN1; SMN2GAAHPGD | |
| SCHEMBL457948 | 0.82 | CES1 (0.47) | ALDH1A1MAPTGAAMEN1KMT2A | |
| SCHEMBL456608 | 0.81 | CYP1A2 (0.49) | ALDH1A1MAPTSMN1; SMN2GAAHPGD | |
| SCHEMBL455700 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPTSMN1; SMN2GAAHPGD | |
| SCHEMBL456020 | 0.77 | LMNA (0.51) | ALDH1A1MAPTSMN1; SMN2HTTMEN1 | |
| SCHEMBL469858 | 0.77 | CA1 (0.54) | ALDH1A1MAPTSMN1; SMN2GAAHPGD | |
| SCHEMBL457328 | 0.74 | CES1 (0.50) | ALDH1A1MAPTGAAMEN1KMT2A |
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 |