Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7171397 | 0.82 | CYP2D6 (0.44) | ALDH1A1CYP2D6CYP1A2PKMSMN1; SMN2 | |
| SCHEMBL7166503 | 0.79 | LPAR1 (0.44) | ALDH1A1CYP2D6CYP1A2PKMSMN1; SMN2 | |
| SCHEMBL10480811 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CHRM2CHRM1CHRM3CYP2D6 | |
| SCHEMBL5836130 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CHRM2CHRM1CHRM3CYP2D6 | |
| SCHEMBL9681180 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP2D6TSHRCYP1A2PKM | |
| SCHEMBL9340087 | 0.73 | ALDH1A1 (0.65) | ALDH1A1TSHRKMT2ALMNA | |
| SCHEMBL8333813 | 0.73 | ALDH1A1 (0.65) | ALDH1A1TSHRKMT2ALMNA | |
| SCHEMBL3003431 | 0.73 | ALDH1A1 (0.65) | ALDH1A1TSHRKMT2ALMNA | |
| SCHEMBL28390165 | 0.73 | KDM4E (0.48) | PKMKMT2ALMNAMAPT | |
| SCHEMBL28632812 | 0.73 | ALDH1A1 (0.36) | ALDH1A1CYP2D6CYP1A2PKMSMN1; SMN2 |
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-104531785-A | Method for catalytically synthesizing ethyl (R)-4-aryl-3-hydroxybutyrate by utilizing potato whole cell | UNIV JIANGNAN | 2015-04-22 | — | — | CN | disclosed |