Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1501942 | 0.85 | IDO1 (0.47) | IDO1ALDH1A1L3MBTL1DCUN1D1KDM4E | |
| Hydrochloric Acid SCHEMBL1502211 | 0.83 | IDO1 (0.46) | IDO1ALDH1A1L3MBTL1DCUN1D1KDM4E | |
| Hydrochloric Acid SCHEMBL1502209 | 0.83 | IDO1 (0.46) | IDO1ALDH1A1L3MBTL1DCUN1D1KDM4E | |
| SCHEMBL26259557 | 0.78 | IKBKE (0.32) | PARP1 | |
| SCHEMBL26259713 | 0.73 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1PARP1KDM4EGAA | |
| SCHEMBL27958628 | 0.70 | CDK2 (0.39) | IDO1DCUN1D1PARP1NPC1 | |
| SCHEMBL26259238 | 0.70 | NISCH (0.41) | ALDH1A1KDM4ENPC1GAAHSD17B10 | |
| SCHEMBL26259398 | 0.70 | MEN1 (0.33) | PARP1 | |
| SCHEMBL560128 | 0.70 | ALDH1A1 (0.56) | CD44ALDH1A1L3MBTL1PARP1HSD17B10 | |
| SCHEMBL16147908 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0556393-B1 | FUSED PYRAZINE DERIVATIVE | YAMANOUCHI PHARMA CO LTD (JP) | 2000-07-26 | — | — | EP | disclosed |
| US-5283244-A | Anticonvulsants, nervous system disorders | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1994-02-01 | — | — | US | disclosed |
| EP-0556393-A1 | FUSED PYRAZINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1993-08-25 | — | — | EP | disclosed |