Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19944782 | 1.00 | ALDH1A1 (0.42) | ALDH1A1ATRMAPTMIFTP53 | |
| SCHEMBL29956714 | 0.89 | PDK1 (0.44) | ALDH1A1ATRMAPTMIFPDK1 | |
| SCHEMBL6478595 | 0.87 | HPGD (0.44) | ALDH1A1ATRMAPTMIFNPC1 | |
| SCHEMBL29955982 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MAPTMIFNPC1RECQL | |
| SCHEMBL5164739 | 0.84 | SMN1; SMN2 (0.44) | ALDH1A1MAPTMIFNPC1RECQL | |
| SCHEMBL18002664 | 0.83 | NPC1 (0.45) | MAPTMIFTP53NPC1RECQL | |
| SCHEMBL29956994 | 0.83 | CYP17A1 (0.50) | ALDH1A1MAPTMIFNPC1RECQL | |
| SCHEMBL6336273 | 0.83 | CYP17A1 (0.50) | ALDH1A1MAPTMIFNPC1RECQL | |
| SCHEMBL6056066 | 0.82 | RAB9A (0.54) | ALDH1A1MAPTPDK1PDK2PDK3 | |
| SCHEMBL6628806 | 0.82 | PDK1 (0.56) | ALDH1A1MAPTPDK1PDK2PDK3 |
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 |