Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2381934 | 0.80 | HTR6 (0.47) | ADRB2HTR1DGPR84HTR6LMNA | |
| SCHEMBL21333400 | 0.80 | HTR1D (0.64) | ADRB2HTR1DGPR84HTR6LMNA | |
| SCHEMBL11165491 | 0.79 | KMT2A (0.43) | ADRB2HTR1DGPR84HTR6KDM4E | |
| SCHEMBL13035740 | 0.79 | CSNK2A1 (0.48) | ADRB2HTR1DGPR84HTR6LMNA | |
| SCHEMBL4668108 | 0.78 | TBXAS1 (0.44) | LMNAMAPTKDM4ENQO2MTNR1A | |
| SCHEMBL9470666 | 0.76 | CNR2 (0.43) | LMNAMAPTKDM4ENQO2MTNR1A | |
| SCHEMBL29215987 | 0.76 | HRH3 (0.47) | HTR6LMNA | |
| SCHEMBL18509694 | 0.75 | LMNA (0.49) | ADRB2HTR1DLMNAMAPTKDM4E | |
| SCHEMBL15759095 | 0.75 | LMNA (0.46) | LMNAMAPTKDM4ENQO2MTNR1A | |
| SCHEMBL1048933 | 0.75 | ADRB2 (0.48) | ADRB2HTR1DHTR6LMNAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112812133-B | Alpha, alpha-difluoroallyl organometallic compound and preparation method and application thereof | 南京工业大学 | 2022-03-11 | — | — | CN | claimed |
| CN-112812133-A | Alpha, alpha-difluoroallyl organometallic compound and preparation method and application thereof | 南京工业大学 | 2021-05-18 | — | — | CN | claimed |
| CN-112812133-B | Alpha, alpha-difluoroallyl organometallic compound and preparation method and application thereof | 南京工业大学 | 2022-03-11 | — | — | CN | disclosed |
| CN-112812133-A | Alpha, alpha-difluoroallyl organometallic compound and preparation method and application thereof | 南京工业大学 | 2021-05-18 | — | — | CN | disclosed |