Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.30 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14725911 | 0.82 | GRM5 (0.49) | GRM5NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL27122183 | 0.79 | GRM5 (0.34) | GRM5NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL20053810 | 0.70 | PTGS1 (0.47) | NPC1ALDH1A1RAB9AKDM4ETP53 | |
| SCHEMBL26753502 | 0.66 | ALOX15 (0.35) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL25065096 | 0.63 | RAB9A (0.42) | NPC1ALDH1A1RAB9AKDM4ETP53 | |
| SCHEMBL13153126 | 0.62 | GRM5 (0.54) | GRM5NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL15754794 | 0.59 | GRM5 (0.55) | GRM5NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL9517797 | 0.59 | NPC1 (0.44) | NPC1ALDH1A1RAB9AKDM4ETP53 | |
| SCHEMBL25150638 | 0.58 | APP (0.32) | — | |
| SCHEMBL26650790 | 0.58 | ADORA1 (0.38) | GRM5NPC1ALDH1A1RAB9AKDM4E |
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-1997003055-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR INHIBITING REPLICATION OF RETROVIRUSES AND FOR INHIBITING TUMOR PROMOTER INITIATED TRANSCRIPTION | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1997-01-30 | — | — | WO | disclosed |