Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 8/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.39 |
| ▸ | PPARG | P37231 | 7/20 | 0.39 |
| ▸ | PPARA | Q07869 | 7/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL28880960 | 0.88 | PPARD (0.50) | AKR1B1PPARDGPR84PPARGPPARA | |
| Octane SCHEMBL28958535 | 0.88 | PPARD (0.50) | AKR1B1PPARDGPR84PPARGPPARA | |
| Bicarbonate SCHEMBL29119274 | 0.83 | AKR1B1 (0.50) | AKR1B1PPARDGPR84PPARGPPARA | |
| Bicarbonate SCHEMBL11125790 | 0.80 | PPARD (0.52) | AKR1B1PPARDGPR84PPARGPPARA | |
| Bicarbonate SCHEMBL6600597 | 0.80 | PPARD (0.52) | AKR1B1PPARDGPR84PPARGPPARA | |
| Bicarbonate SCHEMBL28286784 | 0.80 | PPARD (0.52) | AKR1B1PPARDGPR84PPARGPPARA | |
| SCHEMBL28672845 | 0.80 | TSHR (0.41) | THRATHRBTSHRALDH1A1MEN1 | |
| Propane SCHEMBL28762288 | 0.77 | TSHR (0.44) | THRBTSHRALDH1A1MEN1KMT2A | |
| Benzene SCHEMBL4758974 | 0.77 | TSHR (0.44) | THRBTSHRMEN1ESR1PDE4A | |
| SCHEMBL4277474 | 0.77 | HSD17B10 (0.47) | THRBPPARDGPR84PPARGPPARA |
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 |
|---|---|---|---|---|---|---|---|
| US-4638082-A | Method of producing the p-chlorophenol ester of p-chlorophenoxyisobutyric acid | SOCIETE CORIAL, S.A. (FR) | 1987-01-20 | — | — | US | claimed |