Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29593208 | 0.91 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL13461 | 0.91 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15GAA | |
| Hydrochloric Acid SCHEMBL7418290 | 0.89 | CES2 (0.62) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL29169247 | 0.85 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15GAA | |
| Fluorobenzene SCHEMBL28799844 | 0.83 | CES2 (0.56) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL7685019 | 0.79 | CES2 (0.61) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL8585697 | 0.77 | ALDH1A1 (0.50) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL888679 | 0.77 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL30081009 | 0.77 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL1832988 | 0.76 | CES2 (0.52) | CES2CES1ALDH1A1ALOX15GAA |
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-115504886-B | Preparation method of halogenated phenethylamine compound | 上海泰坦科技股份有限公司 | 2023-09-29 | — | — | CN | disclosed |