Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL15437951 | 0.88 | TDP1 (0.71) | TDP1ALDH1A1L3MBTL1MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL32673210 | 0.86 | TDP1 (0.70) | TDP1ALDH1A1L3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL11573956 | 0.85 | CYP1A2 (0.61) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL5416139 | 0.84 | CYP1A2 (0.68) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL4884515 | 0.84 | ALDH1A1 (0.78) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL25394291 | 0.83 | CYP1A2 (0.65) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL27980274 | 0.82 | CYP1A2 (0.57) | CYP1A2CYP2C9HIF1ATDP1ALDH1A1 | |
| Metaxon SCHEMBL27902848 | 0.80 | NPSR1 (0.55) | CYP1A2CYP2C9HIF1ATDP1MEN1 | |
| SCHEMBL27351928 | 0.80 | CYP1A2 (0.69) | CYP1A2CYP2C9HIF1ATDP1MEN1 | |
| SCHEMBL4887579 | 0.80 | CYP1A2 (0.69) | CYP1A2CYP2C9HIF1ATDP1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102835395-A | Preparation method of MCPA (2-methyl-4-chloro-phenoxyacetic acid) choline water aqua and raw drug | SHANDONG WEIFANG RAINBOW CHEM | 2012-12-26 | — | — | CN | disclosed |
| CN-102835395-A | Preparation method of MCPA (2-methyl-4-chloro-phenoxyacetic acid) choline water aqua and raw drug | SHANDONG WEIFANG RAINBOW CHEM | 2012-12-26 | — | — | CN | disclosed |