Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CCR1 | P32246 | 8/20 | 0.39 |
| ▸ | CCR2 | P41597 | 8/20 | 0.39 |
| ▸ | CCR4 | P51679 | 6/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9862189 | 0.86 | CYP3A4 (0.67) | CYP3A4CYP2C9CCR1CCR2CCR4 | |
| SCHEMBL4191977 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C9CCR1CCR2CCR4 | |
| SCHEMBL10574886 | 0.84 | CYP3A4 (0.39) | CYP3A4CYP2C9CCR1CCR2CCR4 | |
| SCHEMBL10571073 | 0.81 | CYP3A4 (0.38) | CYP3A4CYP2C9CCR1CCR2CCR4 | |
| SCHEMBL9362816 | 0.81 | CYP3A4 (0.38) | CYP3A4CYP2C9CCR1CCR2CCR4 | |
| SCHEMBL20363962 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP2C9THRBSLC6A4SLC6A3 | |
| SCHEMBL10575867 | 0.77 | CYP3A4 (0.35) | CYP3A4CYP2C9CCR1CCR2CCR4 | |
| SCHEMBL10575866 | 0.77 | CYP3A4 (0.35) | CYP3A4CYP2C9CCR1CCR2CCR4 | |
| SCHEMBL6957040 | 0.77 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19THRBCYP19A1 | |
| SCHEMBL6957038 | 0.77 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19THRBCYP19A1 |
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-20200072711-A1 | FLUORESCENT ENDOPLASMIC RETICULUM TRACKERS FOR LIVE CELL IMAGING OF PATHOGENIC YEAST | RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) | 2020-03-05 | — | — | US | disclosed |