Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8085396 | 0.88 | NQO1 (0.58) | NQO1ALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL22014956 | 0.83 | KMT2A (0.43) | ALDH1A1MAPTMEN1KMT2ATP53 | |
| SCHEMBL15703027 | 0.83 | NQO1 (0.52) | NQO1ALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL3035998 | 0.82 | NQO1 (0.67) | NQO1ALDH1A1MAPTTSHRMEN1 | |
| SCHEMBL18358 | 0.78 | NQO1 (0.74) | NQO1ALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL3239122 | 0.78 | NQO1 (0.74) | NQO1ALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL12701798 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTTSHRMEN1 | |
| SCHEMBL13209791 | 0.77 | NQO1 (0.58) | NQO1ALDH1A1MAPTTSHRMEN1 | |
| SCHEMBL9804312 | 0.76 | NQO1 (0.70) | NQO1ALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL8962018 | 0.75 | NQO1 (0.56) | NQO1ALDH1A1KDM4EMAPTTSHR |
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-3024039-B1 | ORGANIC SEMICONDUCTOR COMPOSITIONS | SMARTKEM LTD (GB) | 2020-05-20 | — | — | EP | disclosed |