Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.49 |
| ▸ | GAA | P10253 | 5/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL455445 | 0.81 | ALDH1A1 (0.42) | ALDH1A1GAASMN1; SMN2MAPTKMT2A | |
| SCHEMBL456344 | 0.77 | KMT2A (0.50) | ALDH1A1GAAHPGDSMN1; SMN2MAPT | |
| SCHEMBL457313 | 0.77 | TDP1 (0.56) | ALDH1A1GAAALOX12HPGDSMN1; SMN2 | |
| SCHEMBL455238 | 0.76 | RAB9A (0.44) | ALDH1A1GAAHPGDSMN1; SMN2MAPT | |
| SCHEMBL456579 | 0.75 | ALDH1A1 (0.51) | ALDH1A1GAASMN1; SMN2MAPTKMT2A | |
| SCHEMBL2877863 | 0.74 | ALDH1A1 (0.46) | ALDH1A1GAASMN1; SMN2MAPTKMT2A | |
| SCHEMBL2877739 | 0.74 | MAPT (0.51) | ALDH1A1GAAALOX12HPGDSMN1; SMN2 | |
| SCHEMBL455180 | 0.73 | EPHX1 (0.44) | ALDH1A1GAAALOX12HPGDSMN1; SMN2 | |
| SCHEMBL457447 | 0.72 | MAOA (0.34) | ALDH1A1GAASMN1; SMN2MAPTKMT2A | |
| SCHEMBL456638 | 0.72 | MAOA (0.34) | ALDH1A1GAAALOX12SMN1; SMN2MAPT |
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 |