Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | SLC2A2 | P11168 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6923689 | 0.76 | ABCC1 (0.75) | ABCC1CYP3A4 | |
| SCHEMBL6924927 | 0.71 | ABCC1 (0.48) | ABCC1LRRK2KDM4E | |
| SCHEMBL6918041 | 0.67 | ALDH1A1 (0.40) | ABCC1CYP3A4KMT2AALDH1A1KDM4E | |
| SCHEMBL6924828 | 0.65 | ABCC1 (0.37) | ABCC1GAA | |
| SCHEMBL2043072 | 0.64 | LRRK2 (0.44) | CYP3A4LRRK2MEN1KMT2ASLC2A2 | |
| SCHEMBL3512357 | 0.63 | CXCR4 (0.47) | MEN1KMT2AMETAP2ALDH1A1HSD17B10 | |
| SCHEMBL6924489 | 0.60 | ABCC1 (0.41) | ABCC1ALDH1A1 | |
| SCHEMBL4553880 | 0.60 | CXCR4 (0.47) | CYP3A4MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL6033570 | 0.59 | CXCR4 (0.49) | MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL18372276 | 0.58 | L3MBTL1 (0.43) | ABCC1CYP3A4MEN1KMT2AMETAP2 |
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 |