Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | MASP2 | O00187 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10763883 | 0.78 | KMT2A (0.49) | HCAR2L3MBTL1KMT2ACYP2C19POLB | |
| SCHEMBL28884545 | 0.73 | PMP22 (0.36) | KMT2ACYP2C19ESR2GPR52ALDH1A1 | |
| SCHEMBL28884625 | 0.72 | HCAR2 (0.41) | HCAR2L3MBTL1KMT2ACYP2C19POLB | |
| SCHEMBL9350937 | 0.72 | KMT2A (0.38) | L3MBTL1KMT2ACYP2C19POLBPKM | |
| SCHEMBL28884570 | 0.72 | FFAR1 (0.41) | KMT2ACYP2C19POLBPKMESR2 | |
| SCHEMBL8766712 | 0.72 | POLB (0.41) | L3MBTL1KMT2ACYP2C19POLBPKM | |
| SCHEMBL28884507 | 0.72 | FFAR1 (0.40) | ESR2HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL19411148 | 0.70 | KMT2A (0.46) | HCAR2L3MBTL1KMT2ACYP2C19POLB | |
| SCHEMBL19411149 | 0.70 | KMT2A (0.46) | HCAR2L3MBTL1KMT2ACYP2C19POLB | |
| SCHEMBL28884562 | 0.70 | MAPT (0.38) | L3MBTL1ESR2ALDH1A1MAPTKDM4E |
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-114276247-A | 1,5-enyne ester chiral compound and synthesis method thereof | 华中师范大学 | 2022-04-05 | — | — | CN | disclosed |