Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 14/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.35 |
| ▸ | TSHR | P16473 | 6/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.35 |
| ▸ | USP2 | O75604 | 5/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30095774 | 0.71 | KDM4E (0.62) | EGFRCYP1A2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL3761998 | 0.71 | KDM4E (0.62) | EGFRCYP1A2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL2946608 | 0.70 | ADRA2A (0.55) | CYP1A2ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL4772189 | 0.69 | ABL1 (0.51) | EGFRCYP1A2CYP3A4ALDH1A1TSHR | |
| SCHEMBL4772183 | 0.69 | ABL1 (0.51) | EGFRCYP1A2CYP3A4ALDH1A1TSHR | |
| SCHEMBL2429098 | 0.68 | CYP1A2 (0.41) | EGFRCYP1A2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL30135342 | 0.68 | RECQL (0.54) | CYP1A2CYP2C19CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL9982974 | 0.68 | RECQL (0.54) | CYP1A2CYP2C19CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL6774596 | 0.67 | KDM4E (0.47) | CYP1A2CYP2C19CYP3A4MEN1KMT2A | |
| SCHEMBL29705855 | 0.67 | ADORA1 (0.35) | CYP1A2CYP2C19CYP3A4ALDH1A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0832091-B1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA SICOR INC (US) | 2004-01-14 | — | — | EP | disclosed |