Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | F11 | P03951 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | ACP3 | P15309 | 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 | |
|---|---|---|---|---|
| SCHEMBL29954687 | 0.86 | CA1 (0.50) | CA1CA2ENPP2TDP1KDM4E | |
| SCHEMBL29953386 | 0.81 | CA1 (0.48) | CA1CA2ENPP2TDP1KDM4E | |
| SCHEMBL29955961 | 0.77 | CA1 (0.69) | CA1CA2TDP1ALDH1A1CYP1A2 | |
| SCHEMBL29868851 | 0.77 | CA1 (0.69) | CA1CA2TDP1ALDH1A1CYP1A2 | |
| SCHEMBL275940 | 0.77 | CA1 (0.69) | CA1CA2TDP1ALDH1A1CYP1A2 | |
| SCHEMBL20561170 | 0.76 | CA1 (0.67) | CA1CA2TDP1ALDH1A1CYP1A2 | |
| SCHEMBL20600631 | 0.76 | CA1 (0.55) | CA1CA2ENPP2KDM4ECYP1A2 | |
| SCHEMBL3045619 | 0.76 | MAPK1 (0.45) | CA2ENPP2TDP1CYP1A2CYP2C9 | |
| SCHEMBL31286371 | 0.76 | CA1 (0.67) | CA1CA2TDP1ALDH1A1CYP1A2 | |
| SCHEMBL29955900 | 0.76 | CA1 (0.55) | CA1CA2ENPP2KDM4ECYP1A2 |
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 |