Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMO | Q99835 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL456608 | 0.84 | CYP1A2 (0.49) | KDM4EHTTALDH1A1MAPTGAA | |
| SCHEMBL455106 | 0.84 | KMT2A (0.47) | KDM4EHTTALDH1A1MAPTGAA | |
| SCHEMBL456638 | 0.80 | MAOA (0.34) | KDM4EHTTALDH1A1MAPTGAA | |
| SCHEMBL2877739 | 0.80 | MAPT (0.51) | KDM4EALDH1A1MAPTGAAKMT2A | |
| SCHEMBL2877863 | 0.78 | ALDH1A1 (0.46) | HTTALDH1A1MAPTGAAKMT2A | |
| SCHEMBL455238 | 0.77 | RAB9A (0.44) | ALDH1A1MAPTGAAPOLBRAB9A | |
| SCHEMBL457421 | 0.77 | LRRK2 (0.42) | KDM4EHTTALDH1A1MAPTGAA | |
| SCHEMBL455312 | 0.77 | MAPT (0.42) | HTTALDH1A1MAPTGAAKMT2A | |
| SCHEMBL455695 | 0.77 | SLC2A1 (0.44) | KDM4EHTTALDH1A1MAPTGAA | |
| SCHEMBL456579 | 0.76 | ALDH1A1 (0.51) | HTTALDH1A1MAPTGAAKMT2A |
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 1 patent. 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 |