Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL15345889 | 0.84 | HDAC1 (0.37) | TP53HDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL8740084 | 0.84 | TP53 (0.50) | TP53CA1CA2LMNAFDPS | |
| SCHEMBL28677795 | 0.84 | TP53 (0.50) | TP53CA1CA2LMNAFDPS | |
| SCHEMBL10518340 | 0.83 | TP53 (0.35) | TP53 | |
| SCHEMBL11033174 | 0.81 | THRB (0.35) | TP53THRBLMNA | |
| SCHEMBL37544 | 0.81 | HDAC1 (0.39) | TP53HDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL29050986 | 0.81 | TP53 (0.38) | TP53HDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL29799487 | 0.79 | TDP1 (0.40) | TP53HDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL10569914 | 0.79 | CA1 (0.39) | TP53HDAC1HDAC2CHRM1AKR1A1 | |
| Hydrochloric Acid SCHEMBL20590135 | 0.79 | HDAC1 (0.37) | TP53HDAC1HDAC2CHRM1AKR1A1 |
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-103215324-B | Biosynthesis method for water-soluble poly(3-thiophene) ethoxy butyl sulfonate | UNIV CHINA MINING | 2015-05-20 | — | — | CN | claimed |
| EP-2279192-B1 | IONIC LIQUIDS | MERCK PATENT GMBH (DE) | 2013-10-30 | — | — | EP | claimed |
| CN-103215324-B | Biosynthesis method for water-soluble poly(3-thiophene) ethoxy butyl sulfonate | UNIV CHINA MINING | 2015-05-20 | — | — | CN | disclosed |