Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 10/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28413287 | 0.92 | HDAC1 (0.44) | HCAR2HDAC1HDAC2CHRM1CHRM3 | |
| SCHEMBL4447846 | 0.89 | HCAR2 (0.56) | HCAR2ATMTSHRSLC1A3SLC1A2 | |
| SCHEMBL4447841 | 0.89 | HCAR2 (0.56) | HCAR2ATMTSHRSLC1A3SLC1A2 | |
| SCHEMBL4447838 | 0.81 | CA2 (0.50) | HCAR2TDP1ATMTSHRCYP3A4 | |
| SCHEMBL358441 | 0.77 | HDAC1 (0.55) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL11851897 | 0.76 | HCAR2 (0.47) | HCAR2HDAC1HDAC2CHRM1CHRM3 | |
| SCHEMBL15605564 | 0.76 | HDAC1 (0.54) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| Valproic Acid SCHEMBL28413291 | 0.76 | CHRM1 (0.76) | HCAR2HDAC1HDAC2CHRM1CHRM3 | |
| SCHEMBL27500646 | 0.75 | HDAC1 (0.52) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL11851327 | 0.75 | HCAR2 (0.57) | HCAR2ATMACHEBACE1 |
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-114632073-A | Propofol fumarate and tenofovir oral instant film agent and preparation method thereof | 南京海辰药业股份有限公司 | 2022-06-17 | — | — | CN | disclosed |