Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 4/20 | 0.37 |
| ▸ | PPARA | Q07869 | 4/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28993181 | 0.89 | CA4 (0.36) | LMNAMAPTCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1022162 | 0.81 | CA4 (0.39) | NPC1LMNAMAPTCYP2C9CYP2C19 | |
| SCHEMBL27617060 | 0.81 | CA4 (0.39) | NPC1LMNAMAPTCYP2C9CYP2C19 | |
| SCHEMBL28993178 | 0.79 | ACHE (0.38) | LMNAMAPTCYP2C19CYP1A2CA1 | |
| SCHEMBL28993186 | 0.79 | CA1 (0.44) | NPC1MAPTGAACA1CA2 | |
| Biphenyl SCHEMBL28423804 | 0.78 | ALDH1A1 (0.47) | MAPTCYP2C9CYP1A2CA1CA2 | |
| SCHEMBL28993188 | 0.78 | GAA (0.36) | MAPTCYP2C19CYP1A2GAAPPARG | |
| SCHEMBL28993171 | 0.78 | MEN1 (0.35) | LMNAMAPTCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28993179 | 0.78 | PPARA (0.50) | LMNAMAPTCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7533166 | 0.77 | CA4 (0.36) | NPC1LMNAMAPTCYP2C9CYP2C19 |
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 |