Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | PLAU | P00749 | 2/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | NPY2R | P49146 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955870 | 0.83 | BCHE (0.40) | BCHEACHECYP3A4CA12CA9 | |
| SCHEMBL5837673 | 0.83 | HTT (0.41) | CYP19A1CA12CA9L3MBTL1NPY2R | |
| SCHEMBL4473496 | 0.82 | NPY2R (0.36) | CYP19A1BCHEACHECA12CA9 | |
| SCHEMBL29952039 | 0.80 | MAPT (0.44) | CYP1A2CYP3A4ATMNPY2RCYP2C19 | |
| SCHEMBL571272 | 0.80 | EGFR (0.40) | CYP19A1CA12CA9NPY2RALDH1A1 | |
| SCHEMBL5851624 | 0.80 | MAPT (0.44) | CYP1A2CYP3A4ATMNPY2RCYP2C19 | |
| SCHEMBL4833791 | 0.80 | CES2 (0.37) | BCHEACHECA12CA9NFE2L2 | |
| SCHEMBL30716693 | 0.80 | CES2 (0.37) | BCHEACHECA12CA9NFE2L2 | |
| SCHEMBL17446871 | 0.79 | MEN1 (0.43) | CYP19A1BCHEACHEPLAUPLAT | |
| SCHEMBL408195 | 0.78 | NPY2R (0.47) | BCHEACHECYP1A2CYP3A4CA12 |
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 |