Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20500724 | 0.82 | PTGS2 (0.45) | PTGS2CCNT1CDK9PTGS1MEN1 | |
| SCHEMBL20010406 | 0.81 | PTGS2 (0.37) | PTGS2CCNT1CDK9PTGS1 | |
| SCHEMBL20010689 | 0.77 | PTGS1 (0.41) | PTGS2PTGS1 | |
| SCHEMBL613538 | 0.76 | POLB (0.46) | PTGS2PTGS1MEN1ALDH1A1KMT2A | |
| SCHEMBL9437194 | 0.76 | PTGS2 (0.47) | PTGS2PTGS1TDP2ERN1RAB9A | |
| SCHEMBL19737305 | 0.75 | GSTP1 (0.53) | PTGS2RAB9ANPC1CYP17A1 | |
| SCHEMBL16874849 | 0.73 | QDPR (0.66) | CCNT1CDK9 | |
| SCHEMBL31063652 | 0.73 | AAK1 (0.45) | PTGS2CCNT1CDK9PTGS1TDP2 | |
| SCHEMBL6851839 | 0.73 | MAPT (0.39) | PTGS2CCNT1CDK9PTGS1RAB9A | |
| SCHEMBL9464193 | 0.73 | CYP17A1 (0.61) | PTGS2PTGS1TDP2ERN1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0789691-A1 | HETEROCYCLYLAMINO AND HETEROCYCLYLOXY-CYCLOALKENYL DERIVATIVES AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1997-08-20 | — | — | EP | disclosed |
| WO-1996013487-A1 | HETEROCYCLYLAMINO AND HETEROCYCLYLOXY-CYCLOALKENYL DERIVATIVES AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1996-05-09 | — | — | WO | disclosed |