Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.44 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.44 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.44 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5782170 | 1.00 | CA1 (0.59) | CA1CA2CYP1A2CYP2A6ORAI1 | |
| SCHEMBL17728163 | 0.93 | CA1 (0.61) | CA1CA2CYP1A2CYP2A6ORAI1 | |
| SCHEMBL29951274 | 0.93 | CA1 (0.61) | CA1CA2CYP1A2CYP2A6ORAI1 | |
| SCHEMBL28784898 | 0.86 | CA2 (0.76) | CA1CA2ENPP2MGLLTTR | |
| SCHEMBL13667343 | 0.79 | CA2 (0.73) | CA1CA2ENPP2TTRTSHR | |
| SCHEMBL205203 | 0.78 | CA2 (0.80) | CA1CA2ENPP2TTRTSHR | |
| SCHEMBL31354846 | 0.78 | CA2 (0.80) | CA1CA2ENPP2TTRTSHR | |
| SCHEMBL29936739 | 0.78 | CYP1A2 (0.72) | CYP1A2CYP2A6BACE1TSHR | |
| SCHEMBL6564751 | 0.78 | CYP1A2 (0.72) | CYP1A2CYP2A6BACE1TSHR | |
| SCHEMBL3678771 | 0.76 | CA1 (0.61) | CA1CA2CYP1A2ENPP2TTR |
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 |