Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1275889 | 0.83 | CYP2D6 (0.65) | EPHX1CYP2C19CYP2D6MAPTMMP1 | |
| SCHEMBL28409872 | 0.79 | ANPEP (0.44) | EPHX1CYP2C19MMP8HSD17B10LMNA | |
| SCHEMBL28407679 | 0.76 | EPHX1 (0.43) | EPHX1KMT2AGAAMEN1 | |
| SCHEMBL28407858 | 0.75 | EPHX1 (0.46) | EPHX1KDM4E | |
| SCHEMBL965868 | 0.75 | EPHX1 (0.59) | EPHX1CYP2C19CYP2D6MAPTMMP1 | |
| SCHEMBL11020159 | 0.75 | MCL1 (0.38) | EPHX1MMP1MMP8FAAHKMT2A | |
| SCHEMBL16674188 | 0.74 | CYP2D6 (0.48) | EPHX1CYP2C19CYP2D6MAPTMMP1 | |
| SCHEMBL28403927 | 0.74 | EPHX1 (0.49) | EPHX1KDM4E | |
| SCHEMBL16801793 | 0.73 | CYP2D6 (0.52) | EPHX1CYP2C19CYP2D6MAPTMMP1 | |
| SCHEMBL15148253 | 0.73 | CYP2D6 (0.52) | EPHX1CYP2C19CYP2D6MAPTMMP1 |
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-111269128-B | Synthesis method of 1,1' - (hexa-2, 4-diyne-1, 6-diyl) bis (3-alkyl urea) compound | 苏州爱玛特生物科技有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-111269128-A | Synthesis method of 1, 1' - (hexa-2, 4-diyne-1, 6-diyl) bis (3-alkyl urea) compound | 苏州爱玛特生物科技有限公司 | 2020-06-12 | — | — | CN | disclosed |