Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 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 | |
|---|---|---|---|---|
| SCHEMBL22697172 | 0.79 | CYP3A4 (0.41) | MAP2K1CYP3A4SMN1; SMN2ALOX15CASP1 | |
| SCHEMBL7868609 | 0.76 | IDO1 (0.40) | CYP3A4ALDH1A1CYP2C9MAPTMEN1 | |
| SCHEMBL7865917 | 0.76 | IDO1 (0.40) | ALDH1A1CYP1A2TSHRTRPA1CA1 | |
| SCHEMBL11453434 | 0.76 | ESR1 (0.45) | CYP3A4ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL11267602 | 0.76 | TRPA1 (0.31) | TSHRTRPA1 | |
| SCHEMBL2863135 | 0.76 | ALDH1A1 (0.46) | CYP3A4ALDH1A1L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL2245671 | 0.76 | ALDH1A1 (0.46) | CYP3A4ALDH1A1L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL1888537 | 0.76 | CYP3A4 (0.38) | MAP2K1CYP3A4SMN1; SMN2ALOX15CASP1 | |
| Hydrochloric Acid SCHEMBL5742752 | 0.74 | ESR1 (0.43) | CYP3A4ALDH1A1MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3816918 | 0.74 | ESR1 (0.43) | CYP3A4ALDH1A1MAPTMEN1KMT2A |
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-109912439-B | Method for continuously and rapidly preparing DL-phenylglycine and analogue thereof by using cyanohydrin method | 天宝动物营养科技股份有限公司 | 2022-09-23 | — | — | CN | disclosed |