Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MYC | P01106 | 3/20 | 0.52 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 7/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1586233 | 1.00 | ALDH1A1 (0.56) | ALDH1A1ALOX15MYCNR4A1MAPT | |
| SCHEMBL23245765 | 0.98 | ALDH1A1 (0.54) | ALDH1A1ALOX15MYCNR4A1MAPT | |
| SCHEMBL16204440 | 0.84 | HCRTR1 (0.40) | ALDH1A1ALOX15HCRTR2HCRTR1 | |
| SCHEMBL10819106 | 0.83 | ALDH1A1 (0.56) | ALDH1A1MYCNR4A1MAPTTDP1 | |
| SCHEMBL1652413 | 0.83 | ALDH1A1 (0.45) | ALDH1A1ALOX15MYCNR4A1MAPT | |
| SCHEMBL14881864 | 0.82 | HCRTR1 (0.42) | HCRTR2HCRTR1 | |
| SCHEMBL5334861 | 0.82 | NPC1 (0.51) | ALDH1A1MAPTHCRTR2HCRTR1TSHR | |
| SCHEMBL15833920 | 0.82 | HCRTR1 (0.43) | HCRTR2HCRTR1 | |
| SCHEMBL31227600 | 0.82 | NPC1 (0.51) | ALDH1A1MAPTHCRTR2HCRTR1TSHR | |
| SCHEMBL8122598 | 0.82 | ALDH1A1 (0.44) | ALDH1A1ALOX15HCRTR2HCRTR1 |
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-2022220725-A1 | LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS | ZAMARATSKI EDOUARD (SE) | 2022-10-20 | — | — | WO | disclosed |