Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30108302 | 0.78 | POLB (0.38) | CYP2D6USP2CYP1A2CYP2C9KMT2A | |
| SCHEMBL30108295 | 0.77 | CYP2C9 (0.35) | CYP2D6USP2CYP1A2CYP2C9KMT2A | |
| SCHEMBL2081988 | 0.70 | KMT2A (0.54) | CYP2D6USP2CYP1A2CYP2C9KMT2A | |
| SCHEMBL22164070 | 0.68 | PDK1 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL22164071 | 0.68 | PDK1 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL26355346 | 0.66 | BRD4 (0.42) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL17756665 | 0.66 | RAB9A (0.51) | KMT2AALDH1A1POLBMEN1 | |
| SCHEMBL10116810 | 0.66 | CYP2D6 (0.40) | CYP2D6USP2CYP1A2CYP2C9KMT2A | |
| SCHEMBL10133845 | 0.66 | CYP2D6 (0.40) | CYP2D6USP2CYP1A2CYP2C9KMT2A | |
| SCHEMBL5746952 | 0.65 | CYP2C9 (0.40) | CYP2D6USP2CYP1A2CYP2C9KMT2A |
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-113549068-B | Novel imidazopyridine compound, preparation method and medical application thereof | 上海拓界生物医药科技有限公司 | 2022-12-02 | — | — | CN | disclosed |