Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | LDHB | P07195 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | PREP | P48147 | 2/20 | 0.38 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.38 |
| ▸ | TOP1 | P11387 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20398612 | 1.00 | ABCB11 (0.53) | ABCB11KDM4EHSD17B10GAAHTT | |
| SCHEMBL20398581 | 1.00 | ABCB11 (0.53) | ABCB11KDM4EHSD17B10GAAHTT | |
| SCHEMBL29372682 | 0.94 | HTT (0.58) | ABCB11KDM4EHSD17B10GAAHTT | |
| SCHEMBL20398467 | 0.94 | HTT (0.58) | ABCB11KDM4EHSD17B10GAAHTT | |
| SCHEMBL9644167 | 0.89 | ABCB11 (0.69) | ABCB11KDM4EHSD17B10GAAHTT | |
| SCHEMBL9627547 | 0.85 | ABCB11 (0.59) | ABCB11KDM4EHSD17B10GAAHTT | |
| SCHEMBL10524981 | 0.84 | KDM4E (0.43) | ABCB11KDM4EHSD17B10GAAHTT | |
| SCHEMBL31081033 | 0.81 | HPGD (0.42) | ABCB11KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL31081242 | 0.81 | HPGD (0.42) | ABCB11KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL20398424 | 0.81 | HPGD (0.42) | ABCB11KDM4EHSD17B10MAPTHPGD |
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-113454090-B | Compounds having a polycyclic aromatic skeleton and endoperoxide compounds thereof | 川崎化成工业株式会社 | 2024-08-23 | — | — | CN | disclosed |
| CN-111492498-B | Organic electronic device | 株式会社LG化学 | 2023-05-30 | — | — | CN | disclosed |