Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 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 | |
|---|---|---|---|---|
| SCHEMBL21746796 | 0.79 | F2 (0.36) | — | |
| SCHEMBL21746688 | 0.79 | F2 (0.31) | — | |
| SCHEMBL21746003 | 0.78 | LMNA (0.38) | ALDH1A1HPGDTSHRPDK1PDK2 | |
| SCHEMBL12520054 | 0.77 | F2 (0.39) | ALDH1A1 | |
| SCHEMBL21746799 | 0.72 | ALDH1A1 (0.31) | ALDH1A1HPGDTSHR | |
| SCHEMBL23807060 | 0.68 | PDK1 (0.43) | ALDH1A1PDK1PDK2PDK3 | |
| SCHEMBL21746007 | 0.67 | — | — | |
| SCHEMBL21746798 | 0.66 | — | — | |
| SCHEMBL14846914 | 0.64 | NAAA (0.36) | — | |
| SCHEMBL25075684 | 0.63 | — | — |
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-2944637-B1 | NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-02-19 | — | — | EP | disclosed |