Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18288356 | 0.77 | ALDH1A1 (0.38) | CA2CHKACA12CA1CA9 | |
| SCHEMBL22368188 | 0.75 | ALDH1A1 (0.42) | CA2CHKACA12CA1CA9 | |
| SCHEMBL22249151 | 0.73 | CA2 (0.39) | CA2CHKACA12CA1CA9 | |
| SCHEMBL20175823 | 0.71 | CYP1A2 (0.41) | HPGD | |
| SCHEMBL18288361 | 0.71 | — | — | |
| SCHEMBL18288344 | 0.71 | MEN1 (0.41) | CA2CA12CA1CA9 | |
| SCHEMBL696750 | 0.71 | CA2 (0.48) | CA2CHKACA12CA1CA9 | |
| SCHEMBL2942429 | 0.71 | CA2 (0.46) | CA2CHKACA12CA1CA9 | |
| SCHEMBL8986538 | 0.70 | CA2 (0.36) | CA2CHKACA12CA1CA9 | |
| SCHEMBL20699746 | 0.70 | CA2 (0.37) | CA2CHKACA12CA1CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |