Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.44 |
| ▸ | PPARG | P37231 | 7/20 | 0.44 |
| ▸ | PPARD | Q03181 | 7/20 | 0.44 |
| ▸ | PPARA | Q07869 | 7/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TLR2 | O60603 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | FABP4 | P15090 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9635382 | 0.83 | — | — | |
| SCHEMBL9491708 | 0.69 | ALDH1A1 (0.39) | AKR1B1GPR84PPARGPPARDPPARA | |
| Pentane SCHEMBL4046165 | 0.66 | TSHR (0.58) | AKR1B1GPR84PPARGPPARDPPARA | |
| Pentane SCHEMBL2047155 | 0.66 | — | — | |
| Hexane SCHEMBL28959795 | 0.66 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL9670901 | 0.66 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| Pentane SCHEMBL8775173 | 0.66 | TSHR (0.58) | AKR1B1GPR84PPARGPPARDPPARA | |
| Hexane SCHEMBL7732686 | 0.66 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL17431776 | 0.66 | TSHR (0.46) | TSHRALDH1A1HSD17B10TDP1MAPT | |
| Hexane SCHEMBL16684683 | 0.66 | AKR1B1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA |
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-5139791-A | Sulfonium salts | Nakajima, Kenji (JP) | 1992-08-18 | — | — | US | claimed |