Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27235544 | 1.00 | NPC1 (0.38) | NPC1ALDH1A1CYP1A1CYP1A2CYP3A4 | |
| SCHEMBL13318284 | 0.84 | ALDH1A1 (0.45) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL6487320 | 0.82 | ALDH1A1 (0.37) | NPC1ALDH1A1CYP1A1CYP1A2CYP3A4 | |
| SCHEMBL30075996 | 0.79 | PTGS1 (0.35) | ALDH1A1CYP1A2CYP3A4HPGDHSD17B10 | |
| SCHEMBL30405200 | 0.79 | ENPP2 (0.36) | NPC1ALDH1A1CYP1A1CYP1A2CYP3A4 | |
| SCHEMBL25170611 | 0.79 | ENPP2 (0.36) | NPC1ALDH1A1CYP1A1CYP1A2CYP3A4 | |
| SCHEMBL28889503 | 0.79 | PTGS1 (0.35) | ALDH1A1CYP1A2CYP3A4HPGDHSD17B10 | |
| SCHEMBL3194145 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL29953355 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL4112541 | 0.75 | ALDH1A1 (0.53) | NPC1ALDH1A1CYP1A1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |