Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL29952598 | 0.82 | PKM (0.34) | PKMCA3CA6CA5ACA9 | |
| SCHEMBL29956184 | 0.76 | CA3 (0.42) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL29952446 | 0.76 | HSP90AA1 (0.41) | ALDH1A1CYP2A6 | |
| SCHEMBL29955916 | 0.73 | CA3 (0.30) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL13337361 | 0.73 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL29953614 | 0.73 | ACHE (0.35) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL12678959 | 0.73 | ALDH1A1 (0.35) | ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL8149801 | 0.73 | ACHE (0.35) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL29643309 | 0.72 | TAS2R14 (0.36) | PKMALDH1A1 | |
| SCHEMBL12136644 | 0.71 | ALDH1A1 (0.42) | CA3CA6CA5ACA9CA14 |
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 |