Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.32 |
| ▸ | LOX | P28300 | 2/20 | 0.31 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL3414041 | 0.75 | CYP3A4 (0.36) | — | |
| SCHEMBL15415279 | 0.72 | KEAP1 (0.34) | — | |
| SCHEMBL3057169 | 0.72 | HSD11B1 (0.33) | LOX | |
| SCHEMBL11567025 | 0.71 | CA1 (0.34) | — | |
| SCHEMBL1828766 | 0.71 | HSD11B1 (0.33) | — | |
| SCHEMBL1116655 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL29792680 | 0.68 | LOX (0.49) | PNMTLOXDPP4 | |
| SCHEMBL1146006 | 0.68 | LOX (0.49) | PNMTLOXDPP4 | |
| SCHEMBL5259290 | 0.68 | L3MBTL1 (0.42) | — | |
| SCHEMBL5152547 | 0.68 | GABRA1 (0.39) | — |
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-101128439-A | 1,6 - substituted (3r,6r) -3- (2,3-dihydro-1h-inden-2-yl)-2,5-piperazinedione derivatives as oxytocin receptor antagonists for the treatment of pre-term labour, dysmenorrhea and endometriosis | GLAXO GROUP LTD (GB) | 2008-02-20 | — | — | CN | disclosed |