Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | HPGD | P15428 | 7/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 8/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL25649790 | 1.00 | NPC1 (0.45) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL25648813 | 0.87 | ESR1 (0.37) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL25648810 | 0.87 | ESR1 (0.37) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL25647965 | 0.87 | NPC1 (0.43) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL25647961 | 0.87 | NPC1 (0.43) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL25648809 | 0.85 | PTPN1 (0.44) | KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL25648855 | 0.84 | DHODH (0.38) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL25648808 | 0.84 | DHODH (0.37) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL25648806 | 0.83 | ESR1 (0.39) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL22617972 | 0.82 | TP53 (0.49) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023113577-A1 | COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-06-22 | — | — | WO | disclosed |