Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4298045 | 0.95 | CYP3A4 (0.38) | CYP3A4ELANEKCNH2IRAK4CTSB | |
| SCHEMBL2426758 | 0.85 | DNMT1 (0.34) | ELANEKCNH2CTSB | |
| SCHEMBL2429485 | 0.84 | CYP3A4 (0.33) | CYP3A4ELANEKCNH2IRAK4 | |
| SCHEMBL4294855 | 0.81 | DNMT1 (0.34) | ELANEKCNH2CTSB | |
| SCHEMBL8195028 | 0.80 | CYP3A4 (0.36) | CYP3A4ELANEKCNH2IRAK4 | |
| SCHEMBL733229 | 0.80 | CYP3A4 (0.39) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL3624949 | 0.79 | CYP3A4 (0.40) | CYP3A4ELANEKCNH2IRAK4CTSB | |
| SCHEMBL10081455 | 0.76 | CYP3A4 (0.37) | CYP3A4ELANEKCNH2IRAK4CTSB | |
| SCHEMBL16318483 | 0.76 | CYP3A4 (0.41) | CYP3A4IRAK4CTSBMMP2ANPEP | |
| SCHEMBL16318484 | 0.76 | CYP3A4 (0.41) | CYP3A4IRAK4CTSBMMP2ANPEP |
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 |