Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL22168147 | 1.00 | PDK1 (0.39) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL15920687 | 0.83 | USP2 (0.51) | MEN1KMT2AUSP2ALDH1A1HPGD | |
| SCHEMBL15920689 | 0.83 | USP2 (0.51) | MEN1KMT2AUSP2ALDH1A1HPGD | |
| SCHEMBL15920709 | 0.83 | USP2 (0.51) | MEN1KMT2AUSP2ALDH1A1HPGD | |
| SCHEMBL28555385 | 0.81 | SMN1; SMN2 (0.42) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL21997230 | 0.80 | PDK1 (0.37) | PDK1 | |
| SCHEMBL15920658 | 0.80 | PDK1 (0.37) | PDK1 | |
| SCHEMBL21997852 | 0.80 | PDK1 (0.37) | PDK1 | |
| SCHEMBL22167955 | 0.76 | PDK1 (0.51) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL21214892 | 0.76 | PDK1 (0.51) | PDK1CHRNB2CHRNA4CHRNB4CHRNA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113272301-B | Heterocyclic compound, intermediate, preparation method and application thereof | 武汉朗来科技发展有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-111377917-B | Heterocyclic compound, intermediate, preparation method and application thereof | 武汉朗来科技发展有限公司 | 2022-12-06 | — | — | CN | disclosed |
| CN-113272301-A | Heterocyclic compound, intermediate, preparation method and application thereof | 武汉朗来科技发展有限公司 | 2021-08-17 | — | — | CN | disclosed |