Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CHKA | P35790 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12417796 | 1.00 | CA2 (0.43) | CA2CA12CA1CA9CHKA | |
| SCHEMBL30333678 | 0.84 | MAPT (0.32) | MAPTPOLBHPGD | |
| SCHEMBL11080510 | 0.81 | CA2 (0.45) | CA2CA12CA1CA9CHKA | |
| SCHEMBL11080501 | 0.81 | CA2 (0.45) | CA2CA12CA1CA9CHKA | |
| SCHEMBL6947074 | 0.81 | CA2 (0.45) | CA2CA12CA1CA9CHKA | |
| SCHEMBL25146736 | 0.80 | ALDH1A1 (0.42) | MAPTHPGDMEN1KMT2A | |
| SCHEMBL2190802 | 0.79 | ALDH1A1 (0.53) | CA2CA12CA1CA9CHKA | |
| SCHEMBL2190798 | 0.79 | ALDH1A1 (0.53) | CA2CA12CA1CA9CHKA | |
| SCHEMBL4005530 | 0.77 | CA2 (0.45) | CA2CA12CA1CA9CHKA | |
| SCHEMBL13907144 | 0.76 | CA2 (0.41) | CA2CA12CA1CA9CHKA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023165581-A1 | PYRIDINE DERIVATIVE AND USE THEREOF | 四川汇宇制药股份有限公司 | 2023-09-07 | — | — | WO | disclosed |
| WO-2023045960-A1 | PYRIDINE DERIVATIVE AND USE THEREOF | 四川汇宇制药股份有限公司 | 2023-03-30 | — | — | WO | disclosed |