Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | CASP2 | P42575 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | CASP6 | P55212 | 1/20 | 0.52 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Ibuprofen SCHEMBL29036198 | 0.85 | PTGS2 (0.69) | PTGS2LMNANFKB1RAB9APTGS1 | |
| SCHEMBL68873 | 0.82 | PTGS2 (0.75) | PTGS2LMNASMN1; SMN2MEN1KMT2A | |
| Iodide SCHEMBL3868944 | 0.82 | PTGS2 (0.75) | PTGS2LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL10411845 | 0.82 | PTGS2 (0.75) | PTGS2LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL66842 | 0.82 | PTGS2 (0.75) | PTGS2LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL23581099 | 0.82 | PTGS2 (0.75) | PTGS2LMNASMN1; SMN2MEN1KMT2A | |
| Benzene SCHEMBL28145708 | 0.82 | PTGS2 (0.75) | PTGS2LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL3418 | 0.82 | PTGS2 (0.75) | PTGS2LMNASMN1; SMN2MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL5606719 | 0.80 | PTGS2 (0.72) | PTGS2LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL6534961 | 0.80 | PTGS2 (0.72) | PTGS2LMNASMN1; SMN2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-116462636-A | Synthesis method of 3-alkyl quinoxaline-2 (1H) ketone compound mediated by visible light | 河南师范大学 | 2023-07-21 | — | — | CN | disclosed |