Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CBX7 | O95931 | 1/20 | 0.48 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.48 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28500980 | 1.00 | NPC1 (0.58) | NPC1ALDH1A1LMNAPKMHPGD | |
| SCHEMBL30214700 | 0.90 | CBX7 (0.49) | NPC1CBX7CDYLCDY1; CDY1BSIGMAR1 | |
| SCHEMBL16932267 | 0.90 | CBX7 (0.49) | NPC1CBX7CDYLCDY1; CDY1BSIGMAR1 | |
| SCHEMBL13367759 | 0.82 | MIF (0.58) | ALDH1A1KMT2A | |
| SCHEMBL13962153 | 0.82 | MIF (0.39) | NPC1HPGDTSHRMAPK1 | |
| SCHEMBL16932322 | 0.82 | PIK3CD (0.46) | NPC1CBX7CDYLCDY1; CDY1BSIGMAR1 | |
| SCHEMBL30538022 | 0.82 | PIK3CD (0.46) | NPC1CBX7CDYLCDY1; CDY1BSIGMAR1 | |
| SCHEMBL19086552 | 0.80 | MAPT (0.39) | NPC1CBX7CDYLCDY1; CDY1B | |
| SCHEMBL13341017 | 0.79 | PPARG (0.46) | TP53 | |
| SCHEMBL12061417 | 0.78 | NPC1 (0.64) | NPC1ALDH1A1LMNAPKMHPGD |
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-111868037-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | disclosed |