Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 5/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL29955900 | 0.84 | CA1 (0.55) | CA1CA2CTDSP1CYP1A2ENPP2 | |
| SCHEMBL20600631 | 0.84 | CA1 (0.55) | CA1CA2CTDSP1CYP1A2ENPP2 | |
| SCHEMBL31139487 | 0.80 | CA2 (0.58) | CA1CA2ENPP2KDM4EALDH1A1 | |
| SCHEMBL1527433 | 0.79 | CA1 (0.65) | CA1CA2CYP1A2ENPP2ALDH1A1 | |
| SCHEMBL29465865 | 0.79 | CA1 (0.65) | CA1CA2CYP1A2ENPP2ALDH1A1 | |
| SCHEMBL23581095 | 0.78 | CA1 (0.53) | CA1CA2ENPP2KDM4EALDH1A1 | |
| SCHEMBL5782324 | 0.78 | CA1 (0.53) | CA1CA2ENPP2KDM4EALDH1A1 | |
| SCHEMBL29957331 | 0.78 | CA1 (0.53) | CA1CA2ENPP2KDM4EALDH1A1 | |
| SCHEMBL29955732 | 0.78 | CA1 (0.53) | CA1CA2CTDSP1ENPP2PLAU | |
| SCHEMBL29952638 | 0.78 | CA1 (0.53) | CA1CA2CYP1A2ENPP2KDM4E |
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 |