Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TPMT | P51580 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | RXRB | P28702 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28322368 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19TPMTKDM4E | |
| SCHEMBL21133735 | 0.80 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19KMT2AMAPT | |
| SCHEMBL29726934 | 0.80 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19KMT2AMAPT | |
| SCHEMBL11510852 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19KMT2AALDH1A1 | |
| SCHEMBL14608896 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19KDM4EKMT2A | |
| SCHEMBL3620340 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C19KMT2AALDH1A1 | |
| SCHEMBL14372746 | 0.77 | TPMT (0.46) | TPMTKDM4ERXRARXRBL3MBTL1 | |
| SCHEMBL27667242 | 0.76 | TPMT (0.44) | CYP1A2CYP2D6TPMTKDM4ERXRA | |
| SCHEMBL28117550 | 0.75 | CHEK1 (0.44) | CYP1A2CYP2D6CYP2C19KDM4ERXRA | |
| SCHEMBL3563313 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19KDM4EKMT2A |
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-110229076-A | A kind of technique using recyclable catalyst synthesis 2- (2,6- 3,5-dimethylphenyl) aminopropanoate | 浙江禾本科技有限公司 | 2019-09-13 | — | — | CN | disclosed |