Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL27839685 | 0.81 | MALT1 (0.41) | HRH3MALT1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27820153 | 0.81 | CHRM4 (0.37) | HRH3MALT1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20156460 | 0.78 | GRM5 (0.37) | HRH3MALT1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL17544472 | 0.77 | MALT1 (0.57) | HRH3MALT1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3451280 | 0.74 | CTSK (0.58) | HRH3MALT1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27819587 | 0.74 | CTSK (0.54) | HRH3MALT1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19592785 | 0.73 | TYK2 (0.53) | GRM5MEN1ALDH1A1KMT2ATYK2 | |
| SCHEMBL19174443 | 0.72 | CTSK (0.60) | HRH3MALT1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28617770 | 0.72 | MALT1 (0.41) | HRH3MALT1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL445950 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102203070-A | Alkoxy-and alkylthio-substituted anilinopyrimidines | BAYER CROPSCIENCE AG | 2011-09-28 | — | — | CN | disclosed |