Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 5/20 | 0.62 |
| ▸ | CCR8 | P51685 | 5/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.49 |
| ▸ | CCR5 | P51681 | 3/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28808993 | 1.00 | CCR1 (0.62) | CCR1CCR8ALDH1A1L3MBTL1CCR5 | |
| SCHEMBL10001034 | 0.82 | CCR1 (0.76) | CCR1CCR8ALDH1A1L3MBTL1CCR5 | |
| SCHEMBL11959681 | 0.79 | KDM4E (0.56) | CCR1CCR8ALDH1A1L3MBTL1CCR5 | |
| SCHEMBL29720356 | 0.79 | CCR1 (0.56) | CCR1CCR8ALDH1A1L3MBTL1CCR5 | |
| SCHEMBL28808995 | 0.79 | CCR1 (0.56) | CCR1CCR8ALDH1A1L3MBTL1CCR5 | |
| SCHEMBL12914331 | 0.78 | L3MBTL1 (0.68) | CCR1CCR8ALDH1A1L3MBTL1CCR5 | |
| SCHEMBL8344969 | 0.78 | HTT (0.46) | CCR1CCR8ALDH1A1L3MBTL1CCR5 | |
| SCHEMBL15372035 | 0.77 | ALDH1A1 (0.61) | CCR1CCR8ALDH1A1L3MBTL1CCR5 | |
| SCHEMBL17899328 | 0.77 | CCR1 (0.61) | CCR1CCR8ALDH1A1L3MBTL1CCR5 | |
| SCHEMBL371564 | 0.77 | CCR1 (1.00) | CCR1CCR8ALDH1A1L3MBTL1CCR5 |
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 |