Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8320568 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HCAR2LMNATDP1CA12 | |
| SCHEMBL14618833 | 0.81 | ALDH1A1 (0.44) | ALDH1A1HCAR2LMNATDP1CA12 | |
| SCHEMBL12181495 | 0.81 | ALDH1A1 (0.44) | ALDH1A1HCAR2LMNATDP1CA12 | |
| SCHEMBL23127909 | 0.80 | HCAR2 (0.54) | ALDH1A1HCAR2LMNATDP1CA12 | |
| SCHEMBL20442538 | 0.75 | LMNA (0.49) | ALDH1A1HCAR2LMNATDP1CA12 | |
| SCHEMBL1070426 | 0.75 | HCAR2 (0.71) | ALDH1A1HCAR2LMNATDP1CA12 | |
| SCHEMBL1070423 | 0.75 | HCAR2 (0.71) | ALDH1A1HCAR2LMNATDP1CA12 | |
| SCHEMBL23222960 | 0.74 | ALDH1A1 (0.49) | ALDH1A1HCAR2LMNATDP1CA12 | |
| SCHEMBL22394368 | 0.73 | ALDH1A1 (0.55) | ALDH1A1HCAR2LMNATDP1CA12 | |
| SCHEMBL17779954 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HCAR2LMNATDP1CA12 |
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-2023285497-A1 | IMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIBIOTICS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-01-19 | — | — | WO | disclosed |