Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 3/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.48 |
| ▸ | HTR3B | O95264 | 2/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29846680 | 0.80 | HDAC1 (0.48) | ALDH1A1POLBHDAC1LMNAKMT2A | |
| SCHEMBL29846708 | 0.78 | CCR1 (0.41) | — | |
| SCHEMBL29846819 | 0.76 | ALDH1A1 (0.50) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL27249815 | 0.76 | ALDH1A1 (0.61) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL29846746 | 0.75 | HDAC3 (0.44) | HDAC3HDAC1LMNA | |
| SCHEMBL27249816 | 0.75 | KDM4E (0.56) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL27249820 | 0.74 | KDM4E (0.53) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL27249840 | 0.74 | HTR3A (0.63) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL27249833 | 0.74 | ALDH1A1 (0.76) | KDM4EHTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL29846418 | 0.73 | KMT2A (0.60) | ALDH1A1PKMTSHRHSD17B10LMNA |
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-2022123530-A1 | BORONIC ACID COMPOUND | 주식회사 엘지화학 | 2022-06-16 | — | — | WO | disclosed |