Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6922023 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPTKMT2AKDM4ETSHR | |
| SCHEMBL6826313 | 0.84 | KMT2A (0.46) | ALDH1A1MAPTKMT2AKDM4ETSHR | |
| SCHEMBL6826235 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MAPTKMT2AKDM4ETSHR | |
| SCHEMBL6826234 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MAPTKMT2AKDM4ETSHR | |
| SCHEMBL8236497 | 0.70 | KDM4E (0.61) | ALDH1A1MAPTKMT2AKDM4ETSHR | |
| SCHEMBL17221720 | 0.69 | ALDH1A1 (0.48) | ALDH1A1MAPTKMT2AKDM4ETSHR | |
| SCHEMBL17221719 | 0.69 | ALDH1A1 (0.48) | ALDH1A1MAPTKMT2AKDM4ETSHR | |
| SCHEMBL11785897 | 0.66 | TSHR (0.53) | ALDH1A1MAPTKMT2AKDM4ETSHR | |
| SCHEMBL10742701 | 0.66 | GAA (0.35) | ALDH1A1MAPTKMT2AKDM4EHSD17B10 | |
| SCHEMBL6920602 | 0.65 | ALDH1A1 (0.55) | ALDH1A1MAPTKMT2ATSHRMAPK1 |
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-2004111052-A1 | PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) | XENOVA LIMITED (GB) | 2004-12-23 | — | — | WO | disclosed |