Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 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 | |
|---|---|---|---|---|
| SCHEMBL30565795 | 0.71 | HPRT1 (0.48) | PTPN22ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL9287614 | 0.71 | KDM4E (0.35) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL1505694 | 0.70 | ANPEP (0.41) | PTPN22ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL6252400 | 0.70 | HSD17B10 (0.35) | PTPN22ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL2713020 | 0.69 | PARP1 (0.36) | GAACYP1A2 | |
| Ethylene SCHEMBL6167785 | 0.68 | ANPEP (0.40) | PTPN22ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL29442976 | 0.67 | ALDH1A1 (0.44) | PTPN22ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL4623560 | 0.67 | ALDH1A1 (0.44) | PTPN22ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL28375313 | 0.67 | ALDH1A1 (0.35) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL1822675 | 0.66 | KDM4E (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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-1551822-A2 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 2005-07-13 | — | — | EP | claimed |
| WO-2004009578-A2 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 2004-01-29 | — | — | WO | claimed |
| EP-1551822-A2 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004009578-A2 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 2004-01-29 | — | — | WO | disclosed |