Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | PI4KA | P42356 | 1/20 | 0.30 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.30 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.30 |
| ▸ | PI4KB | Q9UBF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL12217744 | 0.76 | ALDH1A1 (0.43) | ALDH1A1IMPDH2KDM4E | |
| SCHEMBL23888989 | 0.74 | IDO1 (0.40) | ALDH1A1IMPDH2KDM4E | |
| SCHEMBL23905120 | 0.74 | KDR (0.37) | ALDH1A1KDM4E | |
| SCHEMBL26981260 | 0.73 | ALDH1A1 (0.43) | ALDH1A1IMPDH2KDM4E | |
| SCHEMBL29935730 | 0.73 | ALDH1A1 (0.43) | ALDH1A1IMPDH2KDM4E | |
| SCHEMBL2411996 | 0.71 | PI4KA (0.32) | ALDH1A1KDM4EPI4KAPI4K2BPI4K2A | |
| SCHEMBL30905951 | 0.71 | PI4KA (0.40) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL20674469 | 0.71 | PI4KA (0.32) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27191966 | 0.71 | PI4KA (0.40) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL3439327 | 0.69 | CDK8 (0.36) | ALDH1A1KDM4E |
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 |