Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.95 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29429329 | 1.00 | PARP1 (0.95) | PARP1OXTRCA1CA2PNMT | |
| SCHEMBL33931 | 1.00 | PARP1 (0.95) | PARP1OXTRCA1CA2PNMT | |
| Iodide SCHEMBL7226882 | 0.98 | PARP1 (0.91) | PARP1OXTRCA1CA2PNMT | |
| SCHEMBL28243677 | 0.98 | PARP1 (0.91) | PARP1OXTRCA1CA2PNMT | |
| Hydrochloric Acid SCHEMBL27599345 | 0.98 | PARP1 (1.00) | PARP1OXTRCA1CA2PNMT | |
| Hydrochloric Acid SCHEMBL7007870 | 0.98 | PARP1 (1.00) | PARP1OXTRCA1CA2PNMT | |
| Bromide SCHEMBL7236242 | 0.98 | PARP1 (0.91) | PARP1OXTRCA1CA2PNMT | |
| Bromide SCHEMBL19031040 | 0.98 | PARP1 (0.91) | PARP1OXTRCA1CA2PNMT | |
| Formaldehyde SCHEMBL27966942 | 0.94 | PARP1 (0.84) | PARP1OXTRCA1CA2PNMT | |
| SCHEMBL27864562 | 0.92 | PARP1 (0.81) | PARP1OXTRCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107043371-A | β2AR excitements and the difunctional alkaloid of anti-inflammatory and its application | 山东大学 | 2017-08-15 | — | — | CN | disclosed |