Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2426760 | 0.86 | DNMT1 (0.33) | — | |
| SCHEMBL4298045 | 0.85 | CYP3A4 (0.38) | CYP3A4IRAK4ELANEKCNH2KDM4E | |
| SCHEMBL2429482 | 0.84 | CYP3A4 (0.38) | CYP3A4IRAK4ELANEKCNH2 | |
| SCHEMBL2427449 | 0.76 | PIK3CD (0.38) | CYP3A4IRAK4 | |
| SCHEMBL733230 | 0.76 | CYP3A4 (0.33) | CYP3A4ELANEKCNH2 | |
| SCHEMBL2427394 | 0.71 | CYP3A4 (0.34) | CYP3A4 | |
| SCHEMBL2426758 | 0.71 | DNMT1 (0.34) | ELANEKCNH2TDP1 | |
| SCHEMBL4294855 | 0.71 | DNMT1 (0.34) | ELANEKCNH2 | |
| SCHEMBL3624949 | 0.69 | CYP3A4 (0.40) | CYP3A4IRAK4ELANEKCNH2 | |
| SCHEMBL731548 | 0.69 | CYP3A4 (0.33) | CYP3A4ELANEKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2041159-B1 | MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS | ANGELETTI P IST RICHERCHE BIO (IT) | 2011-09-28 | — | — | EP | disclosed |