Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6646067 | 0.92 | CYP3A4 (0.39) | CYP3A4MMP13MMP7KDM4EALDH1A1 | |
| SCHEMBL6807843 | 0.90 | CYP3A4 (0.42) | CYP3A4MMP13MMP7KDM4EALDH1A1 | |
| SCHEMBL6811956 | 0.90 | CYP3A4 (0.42) | CYP3A4MMP13MMP7KDM4EALDH1A1 | |
| SCHEMBL6800839 | 0.87 | CYP3A4 (0.38) | CYP3A4MMP13MMP7KDM4EALDH1A1 | |
| SCHEMBL6673023 | 0.85 | SLC6A7 (0.41) | CYP3A4MMP13MMP7KDM4EALDH1A1 | |
| SCHEMBL6806502 | 0.85 | SLC6A7 (0.41) | CYP3A4MMP13MMP7KDM4EALDH1A1 | |
| SCHEMBL6646942 | 0.83 | CYP3A4 (0.40) | CYP3A4MMP13MMP7KDM4EALDH1A1 | |
| SCHEMBL6648316 | 0.83 | CYP3A4 (0.50) | CYP3A4MMP13MMP7KDM4EALDH1A1 | |
| SCHEMBL6703175 | 0.82 | MMP7 (0.61) | CYP3A4MMP13MMP7KDM4EALDH1A1 | |
| SCHEMBL6644045 | 0.81 | CYP3A4 (0.43) | CYP3A4MMP13MMP7KDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1417181-A1 | ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS | AstraZeneca AB (SE) | 2004-05-12 | — | — | EP | claimed |
| WO-2003014092-A1 | ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS | ASTRAZENECA AB (SE) | 2003-02-20 | — | — | WO | claimed |
| EP-1417181-A1 | ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS | AstraZeneca AB (SE) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003014092-A1 | ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS | ASTRAZENECA AB (SE) | 2003-02-20 | — | — | WO | disclosed |