Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | PGK2 | P07205 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5491179 | 0.78 | — | — | |
| SCHEMBL4258759 | 0.73 | CA12 (0.33) | CA2 | |
| Acetonitrile SCHEMBL5023780 | 0.69 | ACHE (0.36) | MEN1KMT2A | |
| SCHEMBL28765828 | 0.69 | CYP1A2 (0.30) | — | |
| SCHEMBL17668348 | 0.65 | MEN1 (0.30) | MEN1KMT2ATSHR | |
| SCHEMBL949352 | 0.63 | — | — | |
| SCHEMBL5948758 | 0.60 | MAOA (0.38) | — | |
| Phenol SCHEMBL9073761 | 0.60 | CA2 (0.65) | CA2ESR1ESR2TSHR | |
| SCHEMBL45022 | 0.60 | ESR1 (0.44) | ESR1ESR2PGK1PGK2TSHR | |
| SCHEMBL304190 | 0.60 | ESR1 (0.50) | CA2ESR1ESR2PGK1PGK2 |
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-109762853-B | Method for synthesizing isopropanol beta-alkamine derivative on line by lipase catalysis | 浙江工业大学 | 2021-07-27 | — | — | CN | disclosed |