Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28835928 | 0.86 | SLC6A4 (0.50) | KDM4EMAPTCA1CA2NPC1 | |
| SCHEMBL22914552 | 0.83 | ERN1 (0.47) | MAPTALDH1A1HPGDCA1CA2 | |
| SCHEMBL30638614 | 0.83 | DHODH (0.49) | ALDH1A1HPGDCA1CA2ABCB1 | |
| SCHEMBL8017091 | 0.82 | CYP3A4 (0.55) | KDM4EL3MBTL1TDP1ALDH1A1HPGD | |
| SCHEMBL2296342 | 0.82 | KDM4E (0.58) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28835850 | 0.82 | RXRA (0.54) | KDM4ERAB9AMAPK1ERN1LMNA | |
| SCHEMBL29936875 | 0.81 | CYP2C19 (0.54) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28836035 | 0.79 | ERN1 (0.41) | KDM4EL3MBTL1TDP1MAPTHPGD | |
| SCHEMBL12774551 | 0.77 | CA1 (0.66) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29936878 | 0.77 | ALDH1A1 (0.50) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 |
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-115010600-B | Method for synthesizing polyfluoroaryl carboxylic acid compound based on aryl fluorocarbon bond carboxylation reaction | 四川大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-115010600-A | Method for synthesizing polyfluoroaryl carboxylic acid compounds based on aryl fluorocarbon bond carboxylation reaction | 四川大学 | 2022-09-06 | — | — | CN | disclosed |