Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085732 | 0.87 | THRB (0.66) | THRBMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL28277701 | 0.84 | POLB (0.63) | MEN1KMT2AMAPTALDH1A1NPC1 | |
| SCHEMBL6719263 | 0.84 | POLB (0.63) | MEN1KMT2AMAPTALDH1A1NPC1 | |
| SCHEMBL28169741 | 0.84 | THRB (0.50) | THRBLNPEPGPR142MMP2POLB | |
| SCHEMBL28169738 | 0.84 | THRB (0.50) | THRBLNPEPGPR142MMP2POLB | |
| SCHEMBL14938165 | 0.80 | FPR2 (0.65) | TP53MEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL23092395 | 0.80 | THRB (0.47) | THRBMAPTCYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL29715268 | 0.80 | THRB (0.47) | THRBMAPTCYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL23092883 | 0.80 | THRB (0.47) | THRBMAPTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4520427 | 0.80 | GPR142 (0.64) | THRBGPR142ROCK2 |
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-112601734-B | Oximino naphthoquinone compound and preparation method and application thereof | 普济生物科技（台州）有限公司 | 2023-05-23 | — | — | CN | disclosed |