Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16839681 | 0.73 | CYP2D6 (0.45) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL16269141 | 0.72 | GAA (0.45) | KMT2ATSHRLMNAKDM4EGAA | |
| SCHEMBL7434481 | 0.70 | PPID (0.53) | KMT2ALMNAKDM4EGAAHSD17B10 | |
| SCHEMBL22338084 | 0.70 | GAA (0.45) | KMT2AKDM4EGAAALDH1A1 | |
| SCHEMBL16839718 | 0.69 | CYP3A4 (0.43) | KMT2ATSHRNPC1LMNAHPGD | |
| SCHEMBL16931426 | 0.69 | GAA (0.41) | KMT2ATSHRKDM4EGAAALDH1A1 | |
| SCHEMBL4462432 | 0.68 | ALDH1A1 (0.49) | KMT2AKDM4EGAAALDH1A1 | |
| SCHEMBL16276954 | 0.68 | GAA (0.39) | KMT2ATSHRLMNAKDM4EGAA | |
| SCHEMBL32670415 | 0.68 | LMNA (0.47) | KMT2ATSHRLMNAKDM4EGAA | |
| SCHEMBL1187191 | 0.68 | ADRB2 (0.49) | KMT2ATSHRNPC1GAAHSD17B10 |
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-1997011070-A1 | SUBSTITUTED CYCLOHEXYLAMINES AS CENTRAL NERVOUS SYSTEM AGENTS | WARNER-LAMBERT COMPANY (US) | 1997-03-27 | — | — | WO | disclosed |