Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 2/20 | 0.48 |
| ▸ | LRRK2 | Q5S007 | 7/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6922716 | 0.79 | ABCC1 (0.51) | ABCC1LRRK2KDM4E | |
| SCHEMBL6924489 | 0.74 | ABCC1 (0.41) | ABCC1DYRK1APIM1CDK9 | |
| SCHEMBL6923754 | 0.71 | ABCC1 (0.43) | ABCC1LRRK2KDM4E | |
| SCHEMBL6923654 | 0.71 | ABCC1 (0.48) | ABCC1KDM4E | |
| SCHEMBL6924828 | 0.69 | ABCC1 (0.37) | ABCC1PIM1CDK9 | |
| SCHEMBL6826551 | 0.62 | ABCC1 (0.39) | ABCC1 | |
| SCHEMBL1119092 | 0.60 | FFAR1 (0.42) | LRRK2 | |
| SCHEMBL16884625 | 0.60 | LRRK2 (0.37) | LRRK2KDM4E | |
| SCHEMBL6828606 | 0.60 | ABCC1 (0.45) | ABCC1KDM4E | |
| SCHEMBL6824799 | 0.60 | LIMK1 (0.67) | KDM4E |
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 |