Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | BTN3A1 | O00481 | 3/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.31 |
| ▸ | POLRMT | O00411 | 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 | |
|---|---|---|---|---|
| SCHEMBL12067528 | 0.90 | CYP3A4 (0.40) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL12066944 | 0.87 | CYP3A4 (0.47) | CYP3A4CYP2C9BTN3A1RIPK1POLRMT | |
| SCHEMBL12066943 | 0.87 | CYP3A4 (0.47) | CYP3A4CYP2C9BTN3A1RIPK1POLRMT | |
| SCHEMBL12067501 | 0.85 | CYP3A4 (0.38) | CYP3A4CYP2C9BTN3A1RIPK1POLRMT | |
| SCHEMBL10142732 | 0.85 | RIPK1 (0.32) | BTN3A1RIPK1 | |
| SCHEMBL12068858 | 0.82 | POLRMT (0.32) | POLRMT | |
| SCHEMBL10119994 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP2C9BTN3A1POLRMT | |
| SCHEMBL12067502 | 0.81 | CYP3A4 (0.32) | CYP3A4CYP2C9POLRMT | |
| SCHEMBL12067500 | 0.79 | PRMT5 (0.33) | RIPK1POLRMT | |
| SCHEMBL12068959 | 0.79 | CYP3A4 (0.38) | CYP3A4CYP2C9BTN3A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011150288-A1 | 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. (US) | 2011-12-01 | — | — | WO | disclosed |