Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | GAA | P10253 | 7/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | GLB1 | P16278 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 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 | |
|---|---|---|---|---|
| SCHEMBL2877739 | 0.87 | MAPT (0.51) | ALDH1A1MAPTGAAHPGDALOX12 | |
| SCHEMBL2877863 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MAPTGAAKMT2AMEN1 | |
| SCHEMBL456608 | 0.84 | CYP1A2 (0.49) | ALDH1A1MAPTGAAHPGDALOX12 | |
| SCHEMBL457421 | 0.84 | LRRK2 (0.42) | ALDH1A1MAPTGAAHPGDALOX12 | |
| SCHEMBL455312 | 0.84 | MAPT (0.42) | ALDH1A1MAPTGAAALOX12KMT2A | |
| SCHEMBL455238 | 0.84 | RAB9A (0.44) | ALDH1A1MAPTGAAHPGDTDP1 | |
| SCHEMBL469805 | 0.84 | KDR (0.47) | SLC2A1ALDH1A1MAPTGAAHPGD | |
| SCHEMBL456579 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPTGAAKMT2AMEN1 | |
| SCHEMBL456909 | 0.82 | BCHE (0.43) | ALDH1A1MAPTGAAKMT2AMEN1 | |
| SCHEMBL455700 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPTGAAHPGDALOX12 |
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 |