Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 1/20 | 0.56 |
| ▸ | FEN1 | P39748 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.45 |
| ▸ | WNT3A | P56704 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5271809 | 0.94 | ERCC5 (0.53) | ERCC5FEN1CHRM1CHRM2CHRM4 | |
| SCHEMBL4936709 | 0.86 | CHRM1 (0.58) | ERCC5FEN1CHRM1CHRM2CHRM4 | |
| SCHEMBL4458636 | 0.81 | P2RX7 (0.46) | ERCC5FEN1KMT2AHTTMEN1 | |
| SCHEMBL4451534 | 0.81 | P2RX7 (0.46) | ERCC5FEN1KMT2AHTTMEN1 | |
| SCHEMBL8525198 | 0.81 | CHRM1 (0.57) | ERCC5FEN1CHRM1CHRM2CHRM4 | |
| SCHEMBL8735550 | 0.80 | ERCC5 (0.74) | ERCC5FEN1KMT2ASMN1; SMN2CTNNB1 | |
| SCHEMBL28292839 | 0.80 | MEN1 (0.54) | KMT2ATSHRHTTMEN1KDM4E | |
| SCHEMBL10937745 | 0.79 | CHRM1 (0.56) | ERCC5FEN1CHRM1CHRM2CHRM4 | |
| SCHEMBL8510526 | 0.79 | CHRM1 (0.56) | ERCC5FEN1CHRM1CHRM2CHRM4 | |
| SCHEMBL28294453 | 0.78 | HCRTR1 (0.55) | CHRM2ADRA2AKMT2ATSHRMEN1 |
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-109776293-B | Method for preparing 1, 3-diketone compound from alkynone | 温州大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-109776293-A | A method of 1,3- cyclohexadione compounds are prepared with acetylenic ketone | 温州大学 | 2019-05-21 | — | — | CN | disclosed |