Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PPID | Q08752 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL974467 | 0.83 | GAA (0.52) | LMNAHSD11B1MGAMGAASI | |
| Ethyl Propionate SCHEMBL27471382 | 0.80 | GAA (0.44) | LMNAMGAMGAASIMGAM2 | |
| Pyridine SCHEMBL28216689 | 0.78 | SLC13A5 (0.46) | LMNAHSD11B1ALDH1A1TSHRMEN1 | |
| Ethyl Bromo Acetate SCHEMBL17339162 | 0.77 | ALDH1A1 (0.65) | LMNAMGAMGAASIMGAM2 | |
| Trifluoroacetic Acid SCHEMBL27515981 | 0.76 | ALDH1A1 (0.48) | LMNAMAPK1SMN1; SMN2ALDH1A1POLB | |
| Pyridine SCHEMBL28075536 | 0.75 | LMNA (0.41) | LMNAMGAMGAASIMGAM2 | |
| Pyridine SCHEMBL27917106 | 0.75 | CYP1A2 (0.55) | LMNAMGAMGAASIMGAM2 | |
| Pyridine SCHEMBL214663 | 0.74 | SMN1; SMN2 (0.44) | LMNAMGAMGAASIMGAM2 | |
| Pyridine SCHEMBL28321565 | 0.74 | LMNA (0.40) | LMNAMGAMGAASIMGAM2 | |
| Ethyl Acetate SCHEMBL902253 | 0.74 | ALDH1A1 (0.61) | LMNAGAAMAPK1SMN1; SMN2ALDH1A1 |
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-102816157-A | Nitrocatechol derivatives as COMT inhibitors | BIAL PORTELA & CA SA | 2012-12-12 | — | — | CN | disclosed |
| CN-101248064-A | Nitrocatechol derivatives as COMT inhibitors | PORTELA & CA SA (PT) | 2008-08-20 | — | — | CN | disclosed |