Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2068664 | 0.93 | PARP1 (0.55) | PARP1ALDH1A1MAPTTSHRMMP12 | |
| Hydrochloric Acid SCHEMBL1433215 | 0.92 | PARP1 (0.54) | PARP1ALDH1A1MAPTTSHRMMP12 | |
| SCHEMBL14073116 | 0.86 | PARP1 (0.62) | PARP1ALDH1A1MAPTTSHRMMP12 | |
| SCHEMBL16421393 | 0.85 | PARP1 (0.65) | PARP1ALDH1A1MAPTTSHRMMP12 | |
| SCHEMBL14073095 | 0.85 | MAPT (0.60) | PARP1ALDH1A1MAPTTSHRKMT2A | |
| SCHEMBL4286655 | 0.83 | PARP1 (0.67) | PARP1ALDH1A1MAPTTSHRMMP12 | |
| SCHEMBL10923540 | 0.82 | PARP1 (0.69) | PARP1ALDH1A1MAPTTSHRMMP12 | |
| SCHEMBL4295364 | 0.82 | PARP1 (0.65) | PARP1ALDH1A1MAPTTSHRMMP12 | |
| SCHEMBL14073059 | 0.82 | GAA (0.59) | PARP1ALDH1A1MAPTGAASMYD3 | |
| SCHEMBL14073688 | 0.82 | PARP1 (0.54) | PARP1ALDH1A1MAPTTSHRKMT2A |
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-1121072-A | Acetamides | MERCK PATENG GES MIT BESCHRANK (DE) | 1996-04-24 | — | — | CN | disclosed |
| US-5472961-A | Acetamides | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-12-05 | — | — | US | disclosed |