Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | HSPA9 | P38646 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL455312 | 0.89 | MAPT (0.42) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL2877863 | 0.87 | ALDH1A1 (0.46) | BCHEACHEMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL2877739 | 0.85 | MAPT (0.51) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL456579 | 0.83 | ALDH1A1 (0.51) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL455238 | 0.82 | RAB9A (0.44) | SMN1; SMN2ALDH1A1MAPTGAANPC1 | |
| SCHEMBL455695 | 0.82 | SLC2A1 (0.44) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL457421 | 0.82 | LRRK2 (0.42) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL456608 | 0.82 | CYP1A2 (0.49) | BCHEMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL455700 | 0.81 | ALDH1A1 (0.47) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL456638 | 0.81 | MAOA (0.34) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT |
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 |