Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24159473 | 0.88 | NQO2 (0.54) | NQO2ALDH1A1MAPTHPGDGLA | |
| SCHEMBL8665803 | 0.83 | CYP2A6 (0.39) | NQO2ALDH1A1MAPTHPGDGLA | |
| SCHEMBL13778737 | 0.82 | NQO2 (0.39) | NQO2ALDH1A1MAPTHPGDACHE | |
| SCHEMBL13156487 | 0.80 | NQO2 (0.88) | NQO2ALDH1A1MAPTHPGDGLA | |
| SCHEMBL686690 | 0.78 | ALDH1A1 (0.42) | NQO2ALDH1A1MAPTHPGDGLA | |
| SCHEMBL3465537 | 0.78 | ALDH1A1 (0.42) | NQO2ALDH1A1MAPTHPGDGLA | |
| SCHEMBL9429759 | 0.78 | ALDH1A1 (0.42) | NQO2ALDH1A1MAPTHPGDGLA | |
| SCHEMBL19198316 | 0.78 | ALDH1A1 (0.56) | NQO2ALDH1A1MAPTHPGDGLA | |
| Benzo[B]Phenazine SCHEMBL5481172 | 0.75 | NQO2 (1.00) | NQO2ALDH1A1MAPTHPGDGLA | |
| SCHEMBL31319857 | 0.72 | NQO2 (0.94) | NQO2ALDH1A1MAPTHPGDGLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3932911-A1 | POLARIZATION SOURCE FOR DYNAMIC NUCLEAR POLARIZATION, COMPOSITION, COMPOSITION FOR DYNAMIC NUCLEAR POLARIZATION, METHOD FOR HYPERPOLARIZATION, HYPERPOLARIZED SUBSTANCE AND NMR MEASUREMENT METHOD | Kyushu University, National University Corporation (JP) | 2022-01-05 | — | — | EP | disclosed |