Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | BTN3A1 | O00481 | 7/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10142737 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2C9BTN3A1RIPK1 | |
| SCHEMBL10142738 | 0.96 | BTN3A1 (0.36) | CYP3A4CYP2C9BTN3A1RIPK1 | |
| SCHEMBL15580644 | 0.96 | BTN3A1 (0.36) | CYP3A4CYP2C9BTN3A1RIPK1 | |
| SCHEMBL10142742 | 0.95 | CYP3A4 (0.34) | CYP3A4CYP2C9BTN3A1RIPK1 | |
| SCHEMBL15580657 | 0.95 | CYP3A4 (0.34) | CYP3A4CYP2C9BTN3A1RIPK1 | |
| Gs-6620 SCHEMBL10142654 | 0.94 | CYP3A4 (0.41) | CYP3A4CYP2C9BTN3A1RIPK1 | |
| Gs-6620 SCHEMBL18293556 | 0.94 | CYP3A4 (0.41) | CYP3A4CYP2C9BTN3A1RIPK1 | |
| Gs-6620 SCHEMBL10142658 | 0.94 | CYP3A4 (0.41) | CYP3A4CYP2C9BTN3A1RIPK1 | |
| Gs-6620 SCHEMBL14845666 | 0.94 | CYP3A4 (0.41) | CYP3A4CYP2C9BTN3A1RIPK1 | |
| Gs-6620 SCHEMBL18293537 | 0.94 | CYP3A4 (0.41) | CYP3A4CYP2C9BTN3A1RIPK1 |
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-2576534-B1 | 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES INC (US) | 2014-03-19 | — | — | EP | disclosed |