Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
| ▸ | GRN | P28799 | 1/20 | 0.30 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL14158926 | 1.00 | CYP2D6 (0.48) | CYP2D6CYP2C19CCNE2CCNE1CDK2 | |
| SCHEMBL17019095 | 0.83 | CCNE2 (0.37) | CCNE2CCNE1CDK2ADRB2ADRB1 | |
| SCHEMBL17019098 | 0.79 | EPHX1 (0.34) | CCNE2CCNE1CDK2 | |
| SCHEMBL3122891 | 0.78 | CYP2D6 (0.57) | CYP2D6CYP2C19BCHE | |
| SCHEMBL203297 | 0.77 | CYP2D6 (0.46) | CYP2D6CYP2C19 | |
| SCHEMBL20480001 | 0.75 | CYP2D6 (0.45) | CYP2D6CYP2C19GRNSORT1 | |
| SCHEMBL1965030 | 0.75 | CYP2D6 (0.41) | CYP2D6CYP2C19 | |
| SCHEMBL1967425 | 0.75 | CYP2D6 (0.41) | CYP2D6CYP2C19 | |
| SCHEMBL1436205 | 0.75 | — | — | |
| SCHEMBL16197865 | 0.73 | CYP2D6 (0.52) | CYP2D6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105018541-A | Synthetic method of (S)-t-butyl-2-hydroxypropylcarbamate | SHANGHAI SYNTHEALL PHARMACEUTICALS RES CO LTD | 2015-11-04 | — | — | CN | disclosed |
| CN-105018541-A | Synthetic method of (S)-t-butyl-2-hydroxypropylcarbamate | SHANGHAI SYNTHEALL PHARMACEUTICALS RES CO LTD | 2015-11-04 | — | — | CN | disclosed |