Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | QPCT | Q16769 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4394208 | 0.91 | — | — | |
| Fluoride SCHEMBL7478212 | 0.78 | CYP19A1 (0.40) | NFKB1QPCTHSD17B10QPCTLHTT | |
| Fluoride SCHEMBL7484458 | 0.71 | NFKB1 (0.33) | NFKB1QPCTHSD17B10QPCTLHTT | |
| SCHEMBL6008500 | 0.71 | — | — | |
| SCHEMBL28182996 | 0.70 | — | — | |
| SCHEMBL11672687 | 0.69 | NFKB1 (0.41) | NFKB1QPCTHSD17B10QPCTLHTT | |
| Fluoride SCHEMBL7482603 | 0.69 | CYP19A1 (0.43) | QPCTQPCTLHTTCYP19A1 | |
| SCHEMBL28218901 | 0.68 | HTT (0.37) | NFKB1QPCTHSD17B10QPCTLHTT | |
| SCHEMBL27874750 | 0.68 | CYP3A4 (0.39) | NFKB1QPCTHSD17B10QPCTLHTT | |
| Water SCHEMBL27804544 | 0.68 | CYP19A1 (0.38) | NFKB1QPCTHSD17B10QPCTLHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0933364-B1 | Imidazolate sulfur difluorides | AIR PROD & CHEM (US) | 2002-05-02 | — | — | EP | disclosed |
| US-5939546-A | USEFUL DEOXOFLUORINATION REAGENTS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-08-17 | — | — | US | disclosed |
| EP-0933364-A1 | Imidazolate sulfur difluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-08-04 | — | — | EP | disclosed |