Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.34 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.34 |
| ▸ | PON1 | P27169 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | CCR4 | P51679 | 1/20 | 0.32 |
| ▸ | KCNK18 | Q7Z418 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22938855 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MAPTLMNASMN1; SMN2ABCG2 | |
| SCHEMBL31069411 | 0.94 | ALDH1A1 (0.41) | ALDH1A1MAPTLMNASMN1; SMN2ABCG2 | |
| SCHEMBL23438979 | 0.94 | ALDH1A1 (0.40) | ALDH1A1MAPTLMNASMN1; SMN2ABCG2 | |
| SCHEMBL31069399 | 0.94 | ALDH1A1 (0.40) | ALDH1A1MAPTLMNASMN1; SMN2ABCG2 | |
| SCHEMBL23438785 | 0.85 | ABCG2 (0.30) | ABCG2 | |
| SCHEMBL31069403 | 0.85 | ABCG2 (0.30) | ABCG2 | |
| SCHEMBL23439864 | 0.83 | ALDH1A1 (0.38) | ALDH1A1MAPTLMNASMN1; SMN2ABCG2 | |
| SCHEMBL30363215 | 0.83 | ALDH1A1 (0.38) | ALDH1A1MAPTLMNASMN1; SMN2ABCG2 | |
| SCHEMBL31069296 | 0.83 | ALDH1A1 (0.40) | ALDH1A1MAPTABCG2PON1KIF11 | |
| SCHEMBL25878232 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNASMN1; SMN2PTGES2 |
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-113454092-B | Compound and organic light emitting device comprising the same | 株式会社LG化学 | 2024-06-14 | — | — | CN | disclosed |