Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.55 |
| ▸ | LIPE | Q05469 | 2/20 | 0.46 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.44 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.44 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.41 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL2405931 | 1.00 | ENPP2 (0.55) | ENPP2LIPEORAI1ORAI2ORAI3 | |
| SCHEMBL29955587 | 0.92 | ENPP2 (0.52) | ENPP2LIPEORAI1ORAI2ORAI3 | |
| SCHEMBL21979744 | 0.92 | ENPP2 (0.52) | ENPP2LIPEORAI1ORAI2ORAI3 | |
| SCHEMBL27043162 | 0.91 | ENPP2 (0.50) | ENPP2LIPEORAI1ORAI2ORAI3 | |
| SCHEMBL2552732 | 0.88 | KAT2B (0.56) | ENPP2LIPEORAI1ORAI2ORAI3 | |
| SCHEMBL28414854 | 0.83 | ENPP2 (0.41) | ENPP2LIPEORAI1ORAI2ORAI3 | |
| SCHEMBL31483706 | 0.82 | ENPP2 (0.40) | ENPP2LIPEORAI1ORAI2ORAI3 | |
| SCHEMBL29952605 | 0.81 | KAT2B (0.47) | ENPP2LIPEKAT2BBAZ2B | |
| SCHEMBL18981913 | 0.81 | ENPP2 (0.38) | ENPP2ORAI1ORAI2ORAI3KAT2B | |
| SCHEMBL21767584 | 0.78 | SCD (0.39) | LIPEHRH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118878533-A | Inhibition of αvβ6 integrin | 莫菲克医疗股份有限公司 | 2024-11-01 | — | — | CN | disclosed |
| CN-112805001-B | Inhibition of αvβ6 integrin | 莫菲克医疗股份有限公司 | 2024-07-23 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |