Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | HSD17B3 | P37058 | 8/20 | 0.52 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydroquinone SCHEMBL10941615 | 0.89 | FFAR3 (0.65) | ALDH1A1CYP3A4FFAR3HDAC3HDAC1 | |
| Octanoic Acid SCHEMBL27562486 | 0.85 | GPR84 (0.59) | ALDH1A1ALOX15HSD17B10HSD17B3ESR1 | |
| Dodecanoate SCHEMBL27709113 | 0.85 | GPR84 (0.59) | ALDH1A1ALOX15HSD17B10HSD17B3ESR1 | |
| Stearic Acid SCHEMBL299703 | 0.85 | GPR84 (0.59) | ALDH1A1ALOX15HSD17B10HSD17B3ESR1 | |
| Glutarate SCHEMBL10600593 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HDAC3HDAC1HDAC2 | |
| Aniline SCHEMBL7998555 | 0.83 | HDAC3 (0.56) | ALDH1A1FFAR3HDAC3HDAC1HDAC2 | |
| Butyric Acid SCHEMBL11247238 | 0.82 | FFAR3 (0.50) | ALDH1A1CYP3A4FFAR3HDAC3HDAC1 | |
| Butyric Acid SCHEMBL4774927 | 0.82 | FFAR3 (0.50) | ALDH1A1CYP3A4FFAR3HDAC3HDAC1 | |
| 4-Chloroaniline SCHEMBL28415706 | 0.82 | FFAR3 (0.50) | ALDH1A1CYP3A4FFAR3HDAC3HDAC1 | |
| Aniline SCHEMBL29152188 | 0.82 | HDAC3 (0.54) | ALDH1A1FFAR3HDAC3HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015059040-A1 | METHOD FOR DETECTING AND QUANTIFYING A SINGLE-STRANDED TARGET NUCLEIC ACID | SIEMENS AKTIENGESELLSCHAFT (DE) | 2015-04-30 | — | — | WO | disclosed |