Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | MAP3K12 | Q12852 | 3/20 | 0.39 |
| ▸ | CCR2 | P41597 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8787300 | 0.86 | CYP17A1 (0.51) | CYP17A1KDM4EALDH1A1MAPTCA12 | |
| SCHEMBL13063399 | 0.79 | CYP17A1 (0.51) | CYP17A1KDM4EALDH1A1MAPTADRB1 | |
| SCHEMBL13018940 | 0.77 | CYP17A1 (0.49) | CYP17A1KDM4EALDH1A1MAPTADRB1 | |
| SCHEMBL8789168 | 0.77 | CYP17A1 (0.51) | CYP17A1KDM4EALDH1A1MAPTADRB1 | |
| SCHEMBL9265494 | 0.77 | CYP17A1 (0.54) | CYP17A1KDM4EALDH1A1MAPTADRB1 | |
| SCHEMBL8789598 | 0.76 | CNR1 (0.43) | CYP17A1KDM4EALDH1A1MAPTADRB1 | |
| SCHEMBL8658729 | 0.76 | CYP17A1 (0.43) | CYP17A1KDM4EALDH1A1MAPTADRB1 | |
| SCHEMBL13063691 | 0.74 | CYP17A1 (0.46) | CYP17A1KDM4EMAPTADRB1CXCR3 | |
| SCHEMBL8661026 | 0.72 | CNR1 (0.45) | CYP17A1KDM4EALDH1A1MAPTADRB1 | |
| SCHEMBL13063400 | 0.69 | CYP17A1 (0.56) | CYP17A1KDM4EALDH1A1MAPTADRB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828710-A1 | PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES | ZENECA LIMITED (GB) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996037466-A1 | PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES | ZENECA LIMITED (GB) | 1996-11-28 | — | — | WO | disclosed |