Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 5/20 | 0.34 |
| ▸ | LTA4H | P09960 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27617060 | 0.91 | CA4 (0.39) | CA4ALDH1A1ALOX15PPARGLTA4H | |
| SCHEMBL1022162 | 0.91 | CA4 (0.39) | CA4ALDH1A1ALOX15PPARGLTA4H | |
| SCHEMBL28993166 | 0.89 | NPC1 (0.40) | ALDH1A1PPARGTSHRPPARACYP2C19 | |
| Boric Acid SCHEMBL28167570 | 0.88 | CA1 (0.36) | CA4ALDH1A1ALOX15PPARGLTA4H | |
| SCHEMBL7533166 | 0.88 | CA4 (0.36) | CA4ALDH1A1ALOX15PPARGLTA4H | |
| Boric Acid SCHEMBL28318217 | 0.86 | CA1 (0.35) | CA4ALDH1A1ALOX15PPARGLTA4H | |
| SCHEMBL28993186 | 0.82 | CA1 (0.44) | ALDH1A1LTA4HL3MBTL1CYP3A4MAPT | |
| SCHEMBL28993178 | 0.82 | ACHE (0.38) | ALDH1A1L3MBTL1TSHRPPARACYP2D6 | |
| SCHEMBL28993179 | 0.80 | PPARA (0.50) | ALDH1A1ALOX15PPARGATML3MBTL1 | |
| SCHEMBL28993188 | 0.80 | GAA (0.36) | ALDH1A1PPARGPPARACYP2D6CYP2C19 |
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-114874244-A | Preparation method of arylboronic acid ester or alkyl boronate compound | 中国科学院兰州化学物理研究所 | 2022-08-09 | — | — | CN | disclosed |