Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL13623526 | 0.78 | CA1 (0.33) | EPHX1CA1CA2CA7CA13 | |
| SCHEMBL65750 | 0.76 | CA1 (0.41) | EPHX1CA1CA2CA7CA13 | |
| SCHEMBL7155965 | 0.74 | CA1 (0.39) | EPHX1CA1CA2CA7CA13 | |
| SCHEMBL9150994 | 0.74 | CA1 (0.39) | EPHX1CA1CA2CA7CA13 | |
| SCHEMBL21824 | 0.74 | — | — | |
| SCHEMBL8665505 | 0.74 | CA1 (0.39) | EPHX1CA1CA2CA7CA13 | |
| SCHEMBL23542709 | 0.69 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL9151764 | 0.69 | CA1 (0.35) | CA1CA2CA7CA13 | |
| Hydrochloric Acid SCHEMBL9151279 | 0.69 | CA1 (0.35) | CA1CA2CA7CA13 | |
| SCHEMBL15145005 | 0.69 | CA1 (0.35) | CA1CA2CA7CA13 |
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 |
|---|---|---|---|---|---|---|---|
| US-7601695-B2 | 11-N-[4-(4-Pyridin-3-yl-imidazol-1-yl)-butyl]-6-O-methyl-5-O-(3-dimethylamino-2-hydroxy-propoxy)-3-oxo-erythronolide A, 11,12-carbamate; functionalized macrolides; antiviral, antiprotozoal, anticancer and antigastrointestinal | OPTIMER PHARMACEUTICALS, INC. (US) | 2009-10-13 | — | — | US | disclosed |