Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.39 |
| ▸ | PGK2 | P07205 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28652562 | 0.81 | CES2 (0.54) | PTPN1ALDH1A1CES1CYP1A2CES2 | |
| SCHEMBL6666487 | 0.80 | PTPN1 (0.50) | PTPN1ALDH1A1TSHRMAPTKMT2A | |
| SCHEMBL354556 | 0.80 | CYP1A2 (0.52) | PTPN1ALDH1A1TSHRMAPTKMT2A | |
| SCHEMBL887042 | 0.78 | CYP1A2 (0.50) | PTPN1ALDH1A1TSHRMAPTKMT2A | |
| SCHEMBL30274469 | 0.78 | CYP1A2 (0.50) | PTPN1ALDH1A1TSHRMAPTKMT2A | |
| SCHEMBL6967667 | 0.78 | CES1 (0.50) | PTPN1ALDH1A1TSHRMAPTKMT2A | |
| SCHEMBL3243938 | 0.78 | PTPN1 (0.48) | PTPN1ALDH1A1TSHRMAPTKMT2A | |
| SCHEMBL11205832 | 0.78 | PTPN1 (0.48) | PTPN1ALDH1A1TSHRMAPTKMT2A | |
| SCHEMBL28657858 | 0.77 | CA2 (0.44) | ALDH1A1TSHRMAPTKMT2ACES1 | |
| SCHEMBL31026233 | 0.76 | CES1 (0.48) | PTPN1ALDH1A1TSHRMAPTKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110683943-B | Fluoro 1, 3-eneyne compound and preparation method thereof | 上海应用技术大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-113548936-A | Aroyldifluoromethyl olefin and preparation method thereof | 上海应用技术大学 | 2021-10-26 | — | — | CN | disclosed |
| CN-108218680-B | (E) type fluorine-containing 1, 1-toluylene compound and preparation method and application thereof | 上海应用技术大学 | 2021-09-28 | — | — | CN | disclosed |
| CN-110683943-A | Fluoro 1, 3-eneyne compound and preparation method thereof | 上海应用技术大学 | 2020-01-14 | — | — | CN | disclosed |