Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 6/20 | 0.52 |
| ▸ | CA1 | P00915 | 6/20 | 0.52 |
| ▸ | CA2 | P00918 | 6/20 | 0.52 |
| ▸ | CA9 | Q16790 | 6/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CA3 | P07451 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5622971 | 0.79 | MEN1 (0.60) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL20767986 | 0.79 | KDM4E (0.56) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL20767985 | 0.77 | ALDH1A1 (0.59) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL5022816 | 0.77 | CYP2D6 (1.00) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL18692366 | 0.77 | APLNR (0.54) | ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL4206438 | 0.76 | ALDH1A1 (0.63) | KDM4EALDH1A1HPGDLCKCA12 | |
| SCHEMBL22871876 | 0.76 | KDM4E (0.74) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL4209959 | 0.75 | MAOA (0.55) | — | |
| SCHEMBL5622981 | 0.74 | KDM4E (0.58) | CYP2D6KDM4EALDH1A1HPGDLCK | |
| SCHEMBL26195635 | 0.74 | AR (0.58) | KDM4EALDH1A1HPGDMEN1KMT2A |
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-2023164193-A1 | REAGENTS FOR FLUORESCENT, UV, AND MS LABELING OF O-GLYCANS, AND METHODS OF MAKING AND USING THEM | AGILENT TECHNOLOGIES, INC. (US) | 2023-08-31 | — | — | WO | disclosed |