Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8629643 | 1.00 | TSHR (0.50) | TSHRPOLBALDH1A3KDM4EALDH1A1 | |
| SCHEMBL14446350 | 0.83 | TSHR (0.54) | TSHRPOLBALDH1A3KDM4EALDH1A1 | |
| SCHEMBL8629646 | 0.82 | TSHR (0.50) | TSHRPOLBALDH1A3KDM4EALDH1A1 | |
| SCHEMBL2484641 | 0.82 | ESR2 (0.53) | TSHRPOLBALDH1A3KDM4EALDH1A1 | |
| SCHEMBL2484638 | 0.82 | ESR2 (0.53) | TSHRPOLBALDH1A3KDM4EALDH1A1 | |
| SCHEMBL8598755 | 0.79 | DRD2 (0.51) | ALDH1A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL8598751 | 0.79 | DRD2 (0.51) | ALDH1A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL20391885 | 0.79 | TSHR (0.48) | TSHRPOLBALDH1A3KDM4EALDH1A1 | |
| SCHEMBL14999422 | 0.79 | TSHR (0.54) | TSHRPOLB | |
| SCHEMBL11619864 | 0.78 | TSHR (0.47) | TSHRPOLBALDH1A3KDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5852023-A | Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides | HOECHST SCHERING AGREVO GMBH (DE) | 1998-12-22 | — | — | US | disclosed |
| EP-0817774-A1 | CYCLOHEXYLAMINO AND CYCLOHEXYLALKOXY NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996030345-A1 | CYCLOHEXYLAMINO AND CYCLOHEXYLALKOXY NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1996-10-03 | — | — | WO | disclosed |