Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 2/20 | 0.52 |
| ▸ | TPSAB1 | Q15661 | 4/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 3/20 | 0.37 |
| ▸ | NOS2 | P35228 | 3/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3672272 | 0.80 | CYP2C9 (0.48) | TPSAB1PRSS1CA1CA2NOS1 | |
| SCHEMBL7686611 | 0.77 | KMT2A (0.53) | P2RY6TPSAB1PRSS1HSD17B10CHRM1 | |
| SCHEMBL14599602 | 0.74 | PRSS1 (0.44) | PRSS1MEN1MAPTALOX12KMT2A | |
| SCHEMBL8575469 | 0.73 | P2RY6 (0.47) | P2RY6TPSAB1PRSS1CA1CA2 | |
| SCHEMBL8603312 | 0.73 | P2RY6 (0.47) | P2RY6TPSAB1PRSS1HSD17B10CHRM1 | |
| SCHEMBL6881708 | 0.72 | EPHX2 (0.45) | TPSAB1PRSS1NOS1CYP2C9CYP2C19 | |
| SCHEMBL4103299 | 0.72 | ABAT (0.44) | CA1CA2HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL14686209 | 0.72 | TPSAB1 (0.59) | TPSAB1PRSS1NOS1NOS2NOS3 | |
| SCHEMBL6881703 | 0.72 | CYP2C9 (0.42) | TPSAB1PRSS1CA1CA2NOS1 | |
| SCHEMBL8575681 | 0.72 | MCL1 (0.60) | P2RY6TPSAB1PRSS1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7560286-B2 | Mass spectrometric method for structural analysis of chain nitrogen-containing compounds using sqauric acid | SUNTORY HOLDINGS LIMITED (JP) | 2009-07-14 | — | — | US | disclosed |
| US-20040067525-A1 | Method for structural analysis of organic compound | SUNTORY LIMITED (JP) | 2004-04-08 | — | — | US | disclosed |