Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 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 | |
|---|---|---|---|---|
| SCHEMBL6417722 | 1.00 | CYP2D6 (0.40) | CYP2D6CYP17A1MC4RCYP26A1MEN1 | |
| SCHEMBL6417725 | 1.00 | CYP2D6 (0.40) | CYP2D6CYP17A1MC4RCYP26A1MEN1 | |
| Hydrochloric Acid SCHEMBL8143807 | 0.98 | CYP17A1 (0.40) | CYP2D6CYP17A1MC4RCYP26A1MEN1 | |
| Hydrochloric Acid SCHEMBL8150974 | 0.98 | CYP17A1 (0.40) | CYP2D6CYP17A1MC4RCYP26A1MEN1 | |
| SCHEMBL30745623 | 0.94 | CYP17A1 (0.37) | CYP2D6CYP17A1MC4RCYP26A1MEN1 | |
| Oxalic Acid SCHEMBL20895674 | 0.89 | ALDH1A1 (0.36) | CYP2D6CYP17A1KMT2ALMNAMAPT | |
| Trifluoromethanesulfonic Acid SCHEMBL6500935 | 0.86 | KDM4E (0.34) | CYP2D6CYP17A1KDM4EAPAF1NSD2 | |
| Trifluoromethanesulfonic Acid SCHEMBL6500928 | 0.86 | KDM4E (0.34) | CYP2D6CYP17A1KDM4EAPAF1NSD2 | |
| SCHEMBL925004 | 0.79 | CYP2D6 (0.42) | CYP2D6CYP17A1MC4RCYP26A1MEN1 | |
| SCHEMBL925000 | 0.79 | KMT2A (0.35) | CYP2D6MC4RMEN1KMT2AKDM4E |
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-0888308-A1 | PROCESS FOR PREPARING HETEROCYCLIC CARBENES | Celanese GmbH (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034875-A1 | PROCESS FOR PREPARING HETEROCYCLIC CARBENES | CELANESE GMBH (DE) | 1997-09-25 | — | — | WO | disclosed |