Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 3/20 | 0.51 |
| ▸ | CRHR1 | P34998 | 5/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL6924927 | 0.79 | ABCC1 (0.48) | ABCC1KDM4ELRRK2 | |
| SCHEMBL14752628 | 0.65 | MEN1 (0.43) | KDM5AALDH1A1KDM4EGLAHPGD | |
| SCHEMBL3484040 | 0.61 | PSMB8 (0.36) | LRRK2 | |
| SCHEMBL21120068 | 0.60 | KDM5A (0.40) | KDM5AALDH1A1KDM4EGLAHPGD | |
| SCHEMBL6923654 | 0.60 | ABCC1 (0.48) | ABCC1ALDH1A1CYP3A4KDM4EGLA | |
| SCHEMBL17857294 | 0.60 | ALDH1A1 (0.40) | CRHR1KDM5AALDH1A1KDM4EGLA | |
| SCHEMBL12365636 | 0.60 | EGLN2 (0.40) | ALDH1A1CYP3A4HPGD | |
| SCHEMBL9649994 | 0.60 | KHK (0.44) | KDM5AALDH1A1KDM4EHPGDMAPK1 | |
| SCHEMBL31507346 | 0.60 | KHK (0.44) | KDM5AALDH1A1CYP3A4KDM4EGLA | |
| SCHEMBL6826551 | 0.58 | ABCC1 (0.39) | ABCC1ALDH1A1CYP3A4HPGD |
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 |