Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | HMGCR | P04035 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25403169 | 0.84 | CA12 (0.46) | CYP3A4CA12CA1CA2CA9 | |
| SCHEMBL9000382 | 0.83 | CA12 (0.42) | CYP3A4CA12CA1CA2CA9 | |
| SCHEMBL1605930 | 0.78 | ERN1 (0.49) | CYP3A4CA12CA1CA2CA9 | |
| SCHEMBL30937481 | 0.78 | ERN1 (0.49) | CYP3A4CA12CA1CA2CA9 | |
| SCHEMBL24248359 | 0.77 | CCNC (0.35) | CYP3A4HMGCRCYP1A1CYP1B1 | |
| SCHEMBL24601143 | 0.77 | CCNC (0.35) | CYP3A4HMGCRCYP1A1CYP1B1 | |
| SCHEMBL1605483 | 0.74 | CA12 (0.41) | CYP3A4CA12CA1CA2CA9 | |
| SCHEMBL2161122 | 0.74 | LMNA (0.41) | CYP3A4CA12CA1CA2CA9 | |
| SCHEMBL14822558 | 0.74 | SIRT3 (0.38) | CYP3A4CYP1A2CYP2D6CYP2E1CYP2A6 | |
| SCHEMBL25403165 | 0.72 | CA12 (0.42) | CYP3A4CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019196950-A1 | COMPOUND TAKING XANTHONE AS CORE AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN OLED | 江苏三月光电科技有限公司 | 2019-10-17 | — | — | WO | disclosed |