Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARD | Q03181 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11573956 | 0.83 | CYP1A2 (0.61) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL5416139 | 0.82 | CYP1A2 (0.68) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL4884515 | 0.82 | ALDH1A1 (0.78) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL27902847 | 0.82 | CYP1A2 (0.60) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL25394291 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL27351928 | 0.78 | CYP1A2 (0.69) | CYP1A2CYP2C9HIF1ATDP1MEN1 | |
| SCHEMBL4887579 | 0.78 | CYP1A2 (0.69) | CYP1A2CYP2C9HIF1ATDP1MEN1 | |
| SCHEMBL4885055 | 0.78 | ALDH1A1 (0.67) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL29376188 | 0.78 | ALDH1A1 (0.67) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL29435277 | 0.77 | TDP1 (0.62) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 |
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-104185628-A | Arylalkyloxy pyrimidine derivative, pesticide for agricultural and horticultural use containing arylalkyloxy pyrimidine derivative as active ingredient, and use of same | NIHON NOHYAKU CO LTD | 2014-12-03 | — | — | CN | disclosed |