Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | GBA1 | P04062 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | KDM5A | P29375 | 2/20 | 0.42 |
| ▸ | JMJD1C | Q15652 | 1/20 | 0.42 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27846472 | 0.87 | CYP1A2 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL27945042 | 0.79 | CYP1A2 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL12871864 | 0.79 | KDM4E (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL1505808 | 0.78 | KDM4E (0.57) | ALDH1A1ALOX15TDP1HPGDHIF1A | |
| SCHEMBL696116 | 0.78 | XDH (0.50) | ALDH1A1ALOX15TDP1HPGDKMO | |
| Hydrochloric Acid SCHEMBL7968706 | 0.76 | XDH (0.49) | ALDH1A1ALOX15TDP1HPGDKMO | |
| SCHEMBL10940020 | 0.75 | CYP19A1 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL27783350 | 0.75 | CYP1A2 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPK1 | |
| Methyl Alcohol SCHEMBL10711710 | 0.75 | MAPK14 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPK1 | |
| SCHEMBL27786703 | 0.75 | CYP1A2 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPK1 |
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-107698517-A | One kind 2（4 fluorophenyls）The preparation method of pyrimidine derivatives | 湖南华腾制药有限公司 | 2018-02-16 | — | — | CN | disclosed |
| CN-106854181-A | A kind of preparation method of pyrimidine compound | 湖南华腾制药有限公司 | 2017-06-16 | — | — | CN | disclosed |