Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.80 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.80 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.80 |
| ▸ | TP53 | P04637 | 1/20 | 0.80 |
| ▸ | THRB | P10828 | 1/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29428422 | 0.89 | — | — | |
| SCHEMBL102738 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28219263 | 0.87 | TDP1 (0.94) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL826783 | 0.87 | TDP1 (0.94) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL29467723 | 0.84 | TDP1 (0.89) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| SCHEMBL22717088 | 0.82 | TDP1 (0.84) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| Sulfuric Acid SCHEMBL209880 | 0.81 | ALOX15 (0.73) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| Butane SCHEMBL21068442 | 0.80 | TDP1 (0.80) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| Silver SCHEMBL29145999 | 0.79 | CYP3A4 (0.70) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| Questiomycin B SCHEMBL5838990 | 0.76 | ALOX15 (0.64) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111727186-B | Biheterocyclic substituted pyridine-2 (1H) -ketone derivative, preparation method and medical application thereof | 上海海雁医药科技有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-111727186-A | Biheterocyclic substituted pyridine-2 (1H) -ketone derivative, preparation method and medical application thereof | 上海海雁医药科技有限公司 | 2020-09-29 | — | — | CN | disclosed |