Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | CTSC | P53634 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8758752 | 0.76 | CES1 (0.31) | CTSCCES1KDM1A | |
| Trifluoroacetic Acid SCHEMBL21640637 | 0.76 | CES1 (0.42) | CES1SLC6A2SLC6A4SLC6A3KDM1A | |
| Trifluoroacetic Acid SCHEMBL8758748 | 0.73 | FNTA (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL4486156 | 0.71 | DPP4 (0.37) | CHEK1CHEK2CTSCCYP1A2CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL2494834 | 0.71 | DPP4 (0.37) | CHEK1CHEK2CTSCCYP1A2CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL2495230 | 0.71 | DPP4 (0.37) | CHEK1CHEK2CTSCCYP1A2CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL2496511 | 0.71 | DPP4 (0.37) | CHEK1CHEK2CTSCCYP1A2CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL2495777 | 0.71 | DPP4 (0.37) | CHEK1CHEK2CTSCCYP1A2CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL2497613 | 0.71 | DPP4 (0.37) | CHEK1CHEK2CTSCCYP1A2CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL2496916 | 0.71 | DPP4 (0.37) | CHEK1CHEK2CTSCCYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0472062-A1 | Beta-lactam compounds, and their production and use | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1992-02-26 | — | — | EP | disclosed |