Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6485939 | 0.84 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2IDO1PLK1ALOX15 | |
| SCHEMBL10605948 | 0.79 | CES2 (0.60) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL10606092 | 0.76 | TP53 (0.54) | ALDH1A1SMN1; SMN2GAAIDO1PLK1 | |
| SCHEMBL270167 | 0.73 | TRPA1 (0.48) | ALDH1A1SMN1; SMN2MAPTALOX5PTGS1 | |
| SCHEMBL29441542 | 0.73 | TRPA1 (0.48) | ALDH1A1SMN1; SMN2MAPTALOX5PTGS1 | |
| SCHEMBL13295554 | 0.72 | TSHR (0.70) | ALDH1A1SMN1; SMN2MAPTGAAIDO1 | |
| Ammonia Solution, Strong SCHEMBL27619214 | 0.71 | TRPA1 (0.46) | ALDH1A1SMN1; SMN2MAPTALOX5PTGS1 | |
| SCHEMBL21518126 | 0.70 | SMN1; SMN2 (0.42) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL10606143 | 0.70 | SRD5A2 (0.40) | ALDH1A1SMN1; SMN2MAPTTSHRCES2 | |
| SCHEMBL137449 | 0.70 | MCL1 (0.40) | ALDH1A1SMN1; SMN2ALOX5PTGS1PTGS2 |
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-2022268180-A1 | PYRIMIDINE AND NITROGEN-CONTAINING SIX-MEMBERED AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2022-12-29 | — | — | WO | disclosed |