Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.65 |
| ▸ | CHKA | P35790 | 1/20 | 0.65 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.47 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8103057 | 0.91 | CHRNB2 (0.54) | CA2CHKACHRNB2CHRNA3CHRNA4 | |
| SCHEMBL30443406 | 0.86 | ALDH1A1 (0.54) | CA2CHKAALDH1A1POLBHPGD | |
| SCHEMBL28744445 | 0.80 | CHRNB2 (0.48) | CA2CHKACHRNB2CHRNA3CHRNA4 | |
| SCHEMBL3175235 | 0.79 | CA2 (1.00) | CA2CHKACHRNB2CHRNA3CHRNA4 | |
| SCHEMBL19066161 | 0.79 | CA2 (0.55) | CA2CHKACHRNB2CHRNA3CHRNA4 | |
| SCHEMBL7575410 | 0.78 | CHRNB2 (0.47) | CA2CHKACHRNB2CHRNA3CHRNA4 | |
| SCHEMBL19204844 | 0.78 | CHRNB2 (0.47) | CA2CHKACHRNB2CHRNA3CHRNA4 | |
| SCHEMBL28784020 | 0.78 | CHRNB2 (0.47) | CA2CHKACHRNB2CHRNA3CHRNA4 | |
| SCHEMBL27554029 | 0.78 | CHRNB2 (0.47) | CA2CHKACHRNB2CHRNA3CHRNA4 | |
| SCHEMBL11456775 | 0.78 | ALDH1A1 (0.46) | ALDH1A1POLBHPGDHSD11B1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4208454-A1 | IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES | F. Hoffmann-La Roche AG (CH) | 2023-07-12 | — | — | EP | disclosed |
| WO-2022049011-A1 | IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES | F. HOFFMANN-LA ROCHE AG (CH) | 2022-03-10 | — | — | WO | disclosed |