Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | XPO1 | O14980 | 2/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 4/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21139917 | 0.76 | CYP3A4 (0.37) | CYP3A4TSHRGAAXPO1CYP2D6 | |
| SCHEMBL17537351 | 0.76 | CYP1A2 (0.49) | CYP1A2TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL21733739 | 0.74 | KDM4E (0.41) | TSHRHSD17B10GAAXPO1ALDH1A1 | |
| SCHEMBL20288409 | 0.74 | XPO1 (0.36) | XPO1 | |
| SCHEMBL12763753 | 0.74 | KIF11 (0.31) | XPO1 | |
| SCHEMBL25163406 | 0.71 | CYP11B2 (0.39) | ALDH1A1PDE2A | |
| SCHEMBL22062851 | 0.71 | CYP1A2 (0.42) | CYP1A2CYP3A4TSHRNCF1GAA | |
| SCHEMBL21725543 | 0.71 | AR (0.40) | CYP1A2TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL11991740 | 0.70 | DYRK1A (0.42) | CYP1A2TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL24910006 | 0.69 | PTPN1 (0.38) | AR |
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-2020198469-A1 | METHOD FOR TREATING EPIDERMAL GROWTH FACTOR RECEPTOR-DRIVEN CANCERS WITH PROTEIN KINASE C INHIBITORS IN COMBINATION WITH AN EGFR-TYROSINE KINASE INHIBITOR | IDEAYA BIOSCIENCES INC. (US) | 2020-10-01 | — | — | WO | disclosed |