Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11205295 | 0.75 | KDM4E (0.33) | MEN1KMT2A | |
| SCHEMBL28132004 | 0.74 | CYP2A6 (0.36) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6 | |
| SCHEMBL5025415 | 0.72 | CYP2A6 (0.33) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6 | |
| SCHEMBL10878544 | 0.69 | TDP1 (0.31) | SLC6A2SLC6A4SLC6A3CYP2A6 | |
| SCHEMBL25549138 | 0.68 | ALDH1A1 (0.33) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1313656 | 0.68 | CYP1A2 (0.33) | SLC6A2SLC6A4SLC6A3CYP1A2MEN1 | |
| SCHEMBL7598710 | 0.66 | RET (0.36) | SLC6A2SLC6A3MEN1KMT2A | |
| SCHEMBL15859579 | 0.66 | HTR2A (0.35) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30758145 | 0.65 | CYP1A2 (0.41) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6 | |
| SCHEMBL7753185 | 0.65 | CYP2D6 (0.30) | SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108530365-A | 1,4- naphthoquinones/anthraquinone imdazole derivatives and its preparation and use | 上海交通大学 | 2018-09-14 | — | — | CN | disclosed |