Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 3/20 | 0.45 |
| ▸ | CCR8 | P51685 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29720540 | 1.00 | ALDH1A1 (0.51) | ALDH1A1GPR84CCR1CCR8L3MBTL1 | |
| SCHEMBL15372035 | 0.80 | ALDH1A1 (0.61) | ALDH1A1CCR1CCR8L3MBTL1LMNA | |
| SCHEMBL28225781 | 0.79 | GPR84 (0.57) | ALDH1A1GPR84L3MBTL1IMPDH2LMNA | |
| SCHEMBL28809041 | 0.76 | ALDH1A1 (0.56) | ALDH1A1GPR84CCR1CCR8L3MBTL1 | |
| SCHEMBL29720563 | 0.76 | ALDH1A1 (0.56) | ALDH1A1GPR84CCR1CCR8L3MBTL1 | |
| SCHEMBL29720513 | 0.75 | ALDH1A1 (0.63) | ALDH1A1GPR84CCR1CCR8L3MBTL1 | |
| SCHEMBL28809053 | 0.75 | ALDH1A1 (0.63) | ALDH1A1GPR84CCR1CCR8L3MBTL1 | |
| SCHEMBL28808961 | 0.75 | TOP1 (0.55) | ALDH1A1GPR84CCR1CCR8L3MBTL1 | |
| SCHEMBL29720356 | 0.75 | CCR1 (0.56) | ALDH1A1GPR84CCR1CCR8L3MBTL1 | |
| SCHEMBL28808995 | 0.75 | CCR1 (0.56) | ALDH1A1GPR84CCR1CCR8L3MBTL1 |
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-114736158-B | Substituted aza [5] spiroalkene derivative, and preparation method and application thereof | 苏州大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-114736158-A | Substituted aza [5] helicene derivative and preparation method and application thereof | 苏州大学 | 2022-07-12 | — | — | CN | disclosed |