Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | TTR | P02766 | 3/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28674038 | 1.00 | CA1 (0.53) | CA1CA2CYP2A6CYP1A2TTR | |
| SCHEMBL24807948 | 0.85 | CA1 (0.53) | CA1CA2CYP2A6CYP1A2TTR | |
| SCHEMBL29950935 | 0.85 | CA1 (0.53) | CA1CA2CYP2A6CYP1A2TTR | |
| SCHEMBL31139487 | 0.79 | CA2 (0.58) | CA1CA2TTRENPP2KDM4E | |
| SCHEMBL29956064 | 0.78 | CA1 (0.55) | CA1CA2CYP1A2ENPP2KDM4E | |
| SCHEMBL1527433 | 0.78 | CA1 (0.65) | CA1CA2CYP2A6CYP1A2ENPP2 | |
| SCHEMBL29465865 | 0.78 | CA1 (0.65) | CA1CA2CYP2A6CYP1A2ENPP2 | |
| SCHEMBL23625556 | 0.78 | ENPP2 (0.56) | CA1CA2CYP2A6TTRENPP2 | |
| SCHEMBL6561452 | 0.77 | CYP2A6 (0.58) | CYP2A6CYP1A2ALDH1A1ADRA2A | |
| SCHEMBL30366567 | 0.77 | CYP2A6 (0.58) | CYP2A6CYP1A2ALDH1A1ADRA2A |
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 |