Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 12/20 | 0.56 |
| ▸ | MALT1 | Q9UDY8 | 5/20 | 0.56 |
| ▸ | NQO1 | P15559 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | GMNN | O75496 | 1/20 | 0.56 |
| ▸ | TDP2 | O95551 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10141791 | 0.84 | IDO1 (0.55) | IDO1MALT1NQO1KDM4EMEN1 | |
| SCHEMBL416868 | 0.75 | IDO1 (0.46) | IDO1MALT1NQO1KDM4EMEN1 | |
| SCHEMBL18791100 | 0.75 | IDO1 (0.55) | IDO1MALT1NQO1KDM4EMEN1 | |
| Nor-Beta-Lapachone SCHEMBL107599 | 0.74 | MALT1 (0.71) | IDO1MALT1NQO1KDM4EMEN1 | |
| SCHEMBL14439387 | 0.73 | IDO1 (0.44) | IDO1MALT1NQO1KDM4EMEN1 | |
| SCHEMBL30076102 | 0.73 | IDO1 (0.56) | IDO1MALT1NQO1KDM4EMEN1 | |
| SCHEMBL18791133 | 0.73 | IDO1 (0.63) | IDO1MALT1NQO1KDM4EMEN1 | |
| SCHEMBL14439350 | 0.73 | IDO1 (0.43) | IDO1MALT1NQO1KDM4EMEN1 | |
| SCHEMBL14439344 | 0.73 | IDO1 (0.43) | IDO1MALT1NQO1KDM4EMEN1 | |
| SCHEMBL5940407 | 0.72 | MALT1 (0.52) | IDO1MALT1NQO1KDM4EMEN1 |
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-2017070012-A1 | LAPACHONE DERIVATIVES CONTAINING TWO REDOX CENTERS AND METHODS OF USE THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-04-27 | — | — | WO | disclosed |