Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6437951 | 0.92 | MIF (0.44) | MIFMEN1KMT2ATRPA1ALDH1A1 | |
| SCHEMBL26785 | 0.88 | MIF (0.47) | MIFMEN1KMT2ATRPA1ALDH1A1 | |
| SCHEMBL5465655 | 0.88 | MIF (0.47) | MIFMEN1KMT2ATRPA1ALDH1A1 | |
| SCHEMBL22471928 | 0.86 | MIF (0.46) | MIFMEN1KMT2ATRPA1ALDH1A1 | |
| Water SCHEMBL14972890 | 0.86 | MIF (0.46) | CYP19A1MIFMEN1KMT2ATRPA1 | |
| SCHEMBL28048374 | 0.86 | MIF (0.46) | MIFMEN1KMT2ATRPA1ALDH1A1 | |
| SCHEMBL14015247 | 0.85 | MIF (0.45) | MIFMEN1KMT2ATRPA1ALDH1A1 | |
| SCHEMBL14255672 | 0.84 | MIF (0.39) | MIFMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL8466810 | 0.83 | MIF (0.36) | MIFMEN1KMT2ATRPA1ALDH1A1 | |
| Chloromethane SCHEMBL15655633 | 0.82 | MIF (0.43) | CYP19A1MIFMEN1KMT2ATRPA1 |
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-118126515-A | Use of vanillin compounds in polyurethane compositions | SIKA技术股份公司 | 2024-06-04 | — | — | CN | disclosed |