Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPY1R | P25929 | 1/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29780834 | 0.90 | MAPT (0.44) | CCR2ALDH1A1MAPTLMNACYP19A1 | |
| SCHEMBL28808278 | 0.90 | MAPT (0.44) | CCR2ALDH1A1MAPTLMNACYP19A1 | |
| SCHEMBL3023818 | 0.85 | NOD2 (0.48) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL5446082 | 0.85 | MAPT (0.46) | ALDH1A1MAPTLMNACYP19A1MEN1 | |
| SCHEMBL29540947 | 0.85 | MAPT (0.46) | ALDH1A1MAPTLMNACYP19A1MEN1 | |
| SCHEMBL3638010 | 0.84 | CCR2 (0.50) | CCR2ALDH1A1MAPTLMNACYP19A1 | |
| SCHEMBL13560628 | 0.83 | CCR2 (0.47) | CCR2MAPTCYP19A1MEN1KMT2A | |
| SCHEMBL23320505 | 0.82 | CYP19A1 (0.59) | CYP19A1NR1H2NR1H3 | |
| SCHEMBL2930636 | 0.82 | MAPT (0.44) | CCR2ALDH1A1MAPTLMNACYP19A1 | |
| SCHEMBL29697822 | 0.82 | CCR2 (0.52) | CCR2ALDH1A1MAPTCYP19A1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114728914-B | Dioxopiperazine derivative, preparation method thereof and application thereof in medicines | 深圳信立泰药业股份有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-114728914-A | Dioxopiperazine derivative, preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2022-07-08 | — | — | CN | disclosed |