Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 10/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16073068 | 0.84 | ADRA2A (0.60) | PTGESKMT2ARAB9AALDH1A1NPC1 | |
| SCHEMBL11783362 | 0.82 | RAB9A (0.55) | RAB9AKDM4EALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL13736531 | 0.77 | PTGES (0.47) | PTGESHPGDS | |
| SCHEMBL8556879 | 0.77 | NT5E (0.57) | KMT2AADORA3RAB9AKDM4ENPC1 | |
| SCHEMBL216597 | 0.76 | MAPT (0.54) | KMT2ARAB9AKDM4EALDH1A1NPC1 | |
| SCHEMBL3891452 | 0.74 | HPGDS (0.48) | PTGESKMT2ARAB9ANPC1HPGDS | |
| SCHEMBL16078339 | 0.73 | HPGDS (0.60) | KMT2ARAB9AKDM4EALDH1A1NPC1 | |
| SCHEMBL28376991 | 0.73 | NPC1 (0.72) | KMT2ARAB9AKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL30192798 | 0.73 | TYK2 (0.67) | KMT2ARAB9AKDM4EALDH1A1NPC1 | |
| SCHEMBL1126565 | 0.72 | FGFR3 (0.45) | PTGESMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-9604946-B2 | Methods for modulating bacterial virulence and related compounds | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-03-28 | — | — | US | disclosed |