Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | STAT3 | P40763 | 1/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3493878 | 0.78 | ALDH1A1 (0.54) | CYP19A1ALDH1A1KMT2AMEN1TSHR | |
| SCHEMBL27632002 | 0.75 | ALDH1A1 (0.48) | ALDH1A1NPSR1HDAC6HDAC1 | |
| SCHEMBL8189919 | 0.74 | NR1H2 (0.49) | ALDH1A1NR1H2NR1H3AKR1C3KMT2A | |
| SCHEMBL9230948 | 0.74 | NPC1 (0.46) | AKR1C3NPSR1KMT2AMEN1MAPT | |
| SCHEMBL21409788 | 0.74 | CNR1 (0.53) | AKR1C3HPGD | |
| SCHEMBL28500190 | 0.72 | CYP19A1 (0.45) | CYP19A1ALDH1A1NR1H2NR1H3AKR1C3 | |
| SCHEMBL3491679 | 0.71 | ALDH1A1 (0.65) | CYP19A1ALDH1A1CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL30335368 | 0.71 | HPGDS (0.47) | CYP19A1ALDH1A1NR1H2NR1H3AKR1C3 | |
| SCHEMBL31276324 | 0.70 | RECQL (0.49) | CYP19A1ALDH1A1NR1H2NR1H3KMT2A | |
| SCHEMBL21409626 | 0.70 | SLC9A1 (0.44) | ALDH1A1AKR1C3CYP2C19CYP3A4CYP1A2 |
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-2019188456-A1 | NOVEL ANTI-TUMOR AGENT | 学校法人 川崎学園 | 2019-10-03 | — | — | WO | disclosed |