Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | BCL2 | P10415 | 4/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18862946 | 0.90 | TRPA1 (0.43) | TRPA1AAK1S1PR3SMN1; SMN2LMNA | |
| SCHEMBL18839861 | 0.85 | MYC (0.39) | ALDH1A1SMN1; SMN2HPGDMEN1POLB | |
| SCHEMBL18839864 | 0.85 | MYC (0.39) | ALDH1A1SMN1; SMN2HPGDMEN1POLB | |
| SCHEMBL28604827 | 0.82 | TRPA1 (0.46) | TRPA1AAK1S1PR3SMN1; SMN2LMNA | |
| SCHEMBL25813293 | 0.82 | TRPA1 (0.46) | TRPA1AAK1S1PR3SMN1; SMN2TP53 | |
| SCHEMBL28995764 | 0.82 | TRPA1 (0.46) | TRPA1AAK1S1PR3SMN1; SMN2TP53 | |
| SCHEMBL18862943 | 0.82 | TRPA1 (0.46) | TRPA1AAK1S1PR3SMN1; SMN2LMNA | |
| SCHEMBL21294488 | 0.81 | CA12 (0.43) | ALDH1A1MEN1KMT2AMAPTSCN9A | |
| SCHEMBL31250642 | 0.81 | CA12 (0.43) | ALDH1A1MEN1KMT2AMAPTSCN9A | |
| SCHEMBL18862952 | 0.80 | TRPA1 (0.42) | TRPA1AAK1S1PR3SMN1; SMN2LMNA |
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-108473499-B | Novel pyrazolopyrimidine derivatives | 诺华股份有限公司 | 2021-07-23 | — | — | CN | disclosed |