Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | PTGES | O14684 | 12/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.31 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL23059604 | 0.95 | CTSS (0.35) | CTSSPTGESRXFP1 | |
| SCHEMBL23059707 | 0.94 | CTSS (0.35) | CTSSPTGESRXFP1 | |
| SCHEMBL23059691 | 0.91 | CTSS (0.35) | CTSSPTGESRXFP1P2RX1P2RX7 | |
| SCHEMBL24914489 | 0.86 | CTSS (0.37) | CTSSPTGESRXFP1 | |
| SCHEMBL24914808 | 0.84 | CTSS (0.37) | CTSSPTGESRXFP1P2RX1P2RX7 | |
| SCHEMBL25085560 | 0.82 | GPBAR1 (0.35) | PTGES | |
| SCHEMBL22520725 | 0.82 | RXFP1 (0.36) | CTSSPTGESRXFP1 | |
| SCHEMBL23059717 | 0.81 | PTGES (0.38) | CTSSPTGESRXFP1 | |
| SCHEMBL1766651 | 0.81 | RXFP1 (0.40) | PTGESRXFP1MCHR1 | |
| SCHEMBL1766385 | 0.80 | RXFP1 (0.41) | RXFP1MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021036965-A1 | ISOPHTHALAMIDE COMPOUND AND USE THEREOF | 沈阳化工大学 | 2021-03-04 | — | — | WO | disclosed |