Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 3/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.50 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Benzamide SCHEMBL9812910 | 0.90 | PARP1 (0.73) | PARP1TSHRMAPTL3MBTL1POLB | |
| Benzamide SCHEMBL9619649 | 0.85 | PARP1 (0.80) | PARP1TSHRMAPTL3MBTL1POLB | |
| Benzamide SCHEMBL1785440 | 0.85 | PARP1 (0.80) | PARP1TSHRMAPTL3MBTL1POLB | |
| SCHEMBL29959902 | 0.85 | MAP4K4 (0.62) | PARP1TSHRMAPTL3MBTL1POLB | |
| SCHEMBL77931 | 0.85 | MAP4K4 (0.62) | PARP1TSHRMAPTL3MBTL1POLB | |
| Benzamide SCHEMBL28270473 | 0.83 | TSHR (0.76) | PARP1TSHRMAPTL3MBTL1POLB | |
| Benzamide SCHEMBL10890603 | 0.83 | MAPT (0.76) | PARP1TSHRMAPTL3MBTL1POLB | |
| Iodide SCHEMBL19056893 | 0.83 | MAP4K4 (0.60) | PARP1TSHRMAPTL3MBTL1POLB | |
| Hydrochloric Acid SCHEMBL3772040 | 0.83 | MAP4K4 (0.60) | PARP1TSHRMAPTL3MBTL1POLB | |
| Bromide SCHEMBL28799121 | 0.83 | MAP4K4 (0.60) | PARP1TSHRMAPTL3MBTL1POLB |
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-108250191-B | 3, 5-disubstituted 2-amino-pyrazine compound and preparation process and application thereof | 兰州大学 | 2020-10-20 | — | — | CN | claimed |
| CN-108250191-B | 3, 5-disubstituted 2-amino-pyrazine compound and preparation process and application thereof | 兰州大学 | 2020-10-20 | — | — | CN | disclosed |