Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | POLA1 | P09884 | 1/20 | 0.58 |
| ▸ | PPARG | P37231 | 8/20 | 0.56 |
| ▸ | PPARA | Q07869 | 8/20 | 0.56 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | PPARD | Q03181 | 6/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11666289 | 1.00 | TRPA1 (0.61) | TRPA1POLBPOLA1PPARGPPARA | |
| SCHEMBL9337803 | 0.91 | — | — | |
| SCHEMBL9337793 | 0.91 | — | — | |
| SCHEMBL30705405 | 0.88 | POLB (0.70) | TRPA1POLBPOLA1PPARGPPARA | |
| SCHEMBL10808215 | 0.88 | POLB (0.70) | TRPA1POLBPOLA1PPARGPPARA | |
| SCHEMBL10808210 | 0.88 | POLB (0.70) | TRPA1POLBPOLA1PPARGPPARA | |
| SCHEMBL30705404 | 0.88 | POLB (0.70) | TRPA1POLBPOLA1PPARGPPARA | |
| SCHEMBL11796280 | 0.82 | TRPA1 (0.61) | TRPA1POLBPOLA1PPARGPPARA | |
| SCHEMBL7790068 | 0.82 | TRPA1 (0.61) | TRPA1POLBPOLA1PPARGPPARA | |
| SCHEMBL1482106 | 0.82 | TRPA1 (0.61) | TRPA1POLBPOLA1PPARGPPARA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4080334-A | Intermediates in the total synthesis employing substituted isoxazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 1978-03-21 | — | — | US | disclosed |
| US-4044004-A | Total steroid synthesis employing substituted isoxazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 1977-08-23 | — | — | US | disclosed |
| US-3985771-A | Total steroid synthesis employing substituted isoxazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 1976-10-12 | — | — | US | disclosed |
| US-3984428-A | Isoxazolyl-substituted perhydrobenzindenes | HOFFMANN-LA ROCHE INC. (US) | 1976-10-05 | — | — | US | disclosed |