Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | BTN3A1 | O00481 | 5/20 | 0.38 |
| ▸ | NT5M | Q9NPB1 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | RNASE1 | P07998 | 1/20 | 0.32 |
| ▸ | TK1 | P04183 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19987298 | 0.89 | CYP3A4 (0.67) | CYP3A4CYP2C9BTN3A1 | |
| SCHEMBL19987213 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP2C9BTN3A1NT5MTYMS | |
| SCHEMBL19987351 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP2C9BTN3A1NT5MTYMS | |
| SCHEMBL21511184 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP2C9BTN3A1NT5MTYMS | |
| SCHEMBL21511185 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP2C9BTN3A1NT5MTYMS | |
| SCHEMBL19987179 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP2C9BTN3A1NT5MTYMS | |
| SCHEMBL19987216 | 0.81 | CYP3A4 (0.53) | CYP3A4CYP2C9BTN3A1NT5MTYMS | |
| SCHEMBL16777363 | 0.79 | CYP3A4 (0.80) | CYP3A4CYP2C9BTN3A1TYMSTK1 | |
| SCHEMBL16777760 | 0.79 | CYP3A4 (0.80) | CYP3A4CYP2C9BTN3A1TYMSTK1 | |
| SCHEMBL16776899 | 0.79 | CYP3A4 (0.80) | CYP3A4CYP2C9BTN3A1TYMSTK1 |
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-2018049535-A1 | NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF | LCB PHARMA INC. (CA) | 2018-03-22 | — | — | WO | disclosed |