Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2270797 | 0.83 | ALDH1A1 (0.37) | CA1CA9ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL12302085 | 0.77 | CA1 (0.44) | CA1CA9NUDT1ALDH1A1KDM4E | |
| SCHEMBL24791806 | 0.74 | MAOB (0.50) | CA1CA9ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL13799425 | 0.74 | CA1 (0.41) | CA1CA9ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL2253369 | 0.72 | NPC1 (0.55) | ALDH1A1KDM4ECYP3A4MAOATSHR | |
| Hydrochloric Acid SCHEMBL9229530 | 0.71 | ALDH1A1 (0.49) | CA1CA9ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL14197699 | 0.71 | CA1 (0.39) | CA1CA9ALDH1A1KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL6114587 | 0.71 | NPC1 (0.53) | ALDH1A1KDM4ECYP3A4MAOATSHR | |
| SCHEMBL14197696 | 0.71 | ACHE (0.45) | CA1CA9ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL14197691 | 0.69 | CA1 (0.38) | CA1CA9ALDH1A1KDM4ECYP3A4 |
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-107540666-B | Benzofuran pyrazole amine protein kinase inhibitor | 杭州雷索药业有限公司 | 2023-03-24 | — | — | CN | disclosed |