Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PPID | Q08752 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Ethyl Bromo Acetate SCHEMBL4675250 | 0.88 | ALDH1A1 (0.85) | ALDH1A1TRPA1LMNAGAAMGAM | |
| Ethyl Propionate SCHEMBL27471382 | 0.84 | GAA (0.44) | ALDH1A1TRPA1LMNAGAAMGAM | |
| Ethyl Bromo Acetate SCHEMBL1332025 | 0.81 | — | — | |
| Ethyl Bromo Acetate SCHEMBL5658 | 0.81 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332372 | 0.81 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332675 | 0.81 | — | — | |
| Pyridine SCHEMBL27478862 | 0.80 | TSHR (0.38) | ALDH1A1TRPA1GAAMGAMSI | |
| Pyridine SCHEMBL27917106 | 0.79 | CYP1A2 (0.55) | ALDH1A1TRPA1LMNAGAAMGAM | |
| Pyridine SCHEMBL28075536 | 0.79 | LMNA (0.41) | ALDH1A1TRPA1LMNAGAAMGAM | |
| Ethyl Bromo Acetate SCHEMBL14485097 | 0.79 | ALDH1A1 (0.94) | ALDH1A1TRPA1LMNAGAAMGAM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015188777-A1 | CERTAIN PROTEIN KINASE INHIBITORS | SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) | 2015-12-17 | — | — | WO | disclosed |