Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19652272 | 0.85 | TP53 (0.40) | TP53ALDH1A1NPSR1THRBSMN1; SMN2 | |
| SCHEMBL25564753 | 0.81 | DPP4 (0.38) | CA12CA1CA2MMP2CA9 | |
| SCHEMBL3416246 | 0.81 | MMP1 (0.49) | MMP2PDK1PDK2PDK3PDK4 | |
| SCHEMBL14180767 | 0.80 | TP53 (0.43) | TP53ALDH1A1NPSR1THRBSMN1; SMN2 | |
| SCHEMBL19658440 | 0.80 | TP53 (0.43) | TP53ALDH1A1NPSR1THRBSMN1; SMN2 | |
| SCHEMBL25435905 | 0.79 | ALDH1A1 (0.31) | ALDH1A1THRB | |
| SCHEMBL14074441 | 0.79 | MMP2 (0.33) | TP53ALDH1A1NPSR1CA12CA1 | |
| SCHEMBL12325521 | 0.78 | THRB (0.41) | TP53ALDH1A1NPSR1THRBSMN1; SMN2 | |
| SCHEMBL14979937 | 0.78 | THRB (0.41) | TP53ALDH1A1NPSR1THRBSMN1; SMN2 | |
| SCHEMBL21904477 | 0.76 | AAK1 (0.48) | TP53THRBCA12 |
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-2023093834-A1 | PYRROLIDINE ANTIVIRAL COMPOUND | 先声再明医药有限公司 | 2023-06-01 | — | — | WO | disclosed |