Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL454941 | 0.91 | ALDH1A1 (0.46) | MAPTKMT2AMEN1MAPK1LMNA | |
| SCHEMBL455908 | 0.85 | RRM1 (0.44) | MAPTKMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL469862 | 0.84 | KDR (0.48) | MAPTKMT2AMEN1MAPK1LMNA | |
| SCHEMBL2877863 | 0.84 | ALDH1A1 (0.46) | MAPTKMT2AMEN1MAPK1LMNA | |
| SCHEMBL455315 | 0.82 | KDR (0.52) | MAPTKMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL31492064 | 0.78 | KDR (0.50) | MAPTKMT2AMEN1MAPK1LMNA | |
| SCHEMBL469859 | 0.77 | CA1 (0.50) | MAPTALDH1A1TGM2CES1CA1 | |
| SCHEMBL13008097 | 0.74 | KDR (0.54) | MAPTKMT2AMAPK1ALDH1A1GAA | |
| SCHEMBL469845 | 0.73 | AGTR1 (0.57) | MAPTKMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL10085721 | 0.73 | KDR (0.52) | MAPTALDH1A1TGM2CES1CA1 |
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 |