Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL9682963 | 0.88 | HDAC1 (0.41) | LDHASRRHDAC1HDAC2CHRM1 | |
| Acetoacetic Acid SCHEMBL2381598 | 0.88 | HDAC1 (0.41) | LDHASRRHDAC1HDAC2CHRM1 | |
| Propionic Acid SCHEMBL406808 | 0.86 | FFAR3 (0.56) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Propionic Acid SCHEMBL28468420 | 0.86 | FFAR3 (0.56) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Bicarbonate SCHEMBL14562444 | 0.86 | HDAC1 (0.52) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Bicarbonate SCHEMBL10590002 | 0.86 | HDAC1 (0.52) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Malonic Acid SCHEMBL28290691 | 0.85 | GPR84 (0.47) | LDHASRRGPR84FFAR1FFAR4 | |
| Succinic Acid SCHEMBL28438549 | 0.84 | HDAC1 (0.52) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Succinic Acid SCHEMBL4667877 | 0.84 | HDAC1 (0.52) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| Succinic Acid SCHEMBL28210913 | 0.84 | HDAC1 (0.52) | HDAC1HDAC2CHRM1AKR1A1CHRM3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929574-B | Method for preparing butanediol ester compound from tetrahydrofuran compound | 中国科学院山西煤炭化学研究所 | 2024-02-02 | — | — | CN | disclosed |
| CN-116063654-A | Oil-resistant thermoplastic polyurethane elastomer and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-113929574-A | Method for preparing butanediol ester compounds from tetrahydrofuran compounds | 中国科学院山西煤炭化学研究所 | 2022-01-14 | — | — | CN | disclosed |