Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 5/20 | 0.35 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 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 | |
|---|---|---|---|---|
| SCHEMBL29425063 | 0.83 | TDP1 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL15250374 | 0.83 | TDP1 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL6627536 | 0.78 | GRIA1 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL30589401 | 0.78 | TDP1 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL1533918 | 0.78 | TDP1 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL29952665 | 0.78 | GRIA1 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL14327941 | 0.75 | UHRF1 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL660973 | 0.75 | TDP1 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL15012943 | 0.75 | TDP1 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19TDP1 | |
| SCHEMBL14901952 | 0.75 | LMNA (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 |
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 |