Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM8 | O00222 | 2/20 | 0.53 |
| ▸ | GRM6 | O15303 | 2/20 | 0.53 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.53 |
| ▸ | AR | P10275 | 7/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.52 |
| ▸ | AADAC | P22760 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3964971 | 0.88 | GRM8 (0.56) | GRM8GRM6GRM4ARCYP3A4 | |
| SCHEMBL3964959 | 0.88 | GRM8 (0.56) | GRM8GRM6GRM4ARCYP3A4 | |
| SCHEMBL9727361 | 0.87 | AR (0.55) | GRM8GRM6GRM4ARCYP3A4 | |
| SCHEMBL2746779 | 0.81 | AR (0.49) | GRM8GRM6GRM4ARCYP3A4 | |
| SCHEMBL10629315 | 0.80 | AR (0.56) | GRM8GRM6GRM4ARCYP3A4 | |
| SCHEMBL5842211 | 0.79 | AR (0.50) | GRM8GRM6GRM4ARCYP3A4 | |
| SCHEMBL2973491 | 0.78 | PARP1 (0.55) | GRM8GRM6GRM4ARCYP3A4 | |
| SCHEMBL18528104 | 0.77 | GRM8 (0.52) | GRM8GRM6GRM4ARCYP3A4 | |
| SCHEMBL16952504 | 0.77 | AR (0.53) | GRM8GRM6GRM4ARCYP3A4 | |
| SCHEMBL16952607 | 0.77 | GRM8 (0.48) | GRM8GRM6GRM4ARCYP3A4 |
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-108026027-B | Substituted malonamide compounds and their use as antibacterial agents | 邱浩杰 | 2020-10-02 | — | — | CN | disclosed |