Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 5/20 | 0.59 |
| ▸ | NQO1 | P15559 | 6/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.50 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6957985 | 0.86 | NQO1 (0.60) | VKORC1NQO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8945441 | 0.85 | VKORC1 (0.67) | VKORC1NQO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8934599 | 0.85 | VKORC1 (0.52) | VKORC1NQO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8945691 | 0.85 | VKORC1 (0.52) | VKORC1NQO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8807940 | 0.83 | VKORC1 (0.58) | VKORC1NQO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8945405 | 0.83 | VKORC1 (0.50) | VKORC1NQO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8945383 | 0.82 | VKORC1 (0.48) | VKORC1NQO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9212270 | 0.81 | VKORC1 (0.53) | VKORC1NQO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7384605 | 0.81 | VKORC1 (0.53) | VKORC1NQO1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7353317 | 0.81 | VKORC1 (0.55) | VKORC1NQO1CYP1A2CYP2C9CYP2C19 |
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-5510375-A | VIRICIDES TREATING INFECTION CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS AND AIDS | WARNER-LAMBERT COMPANY (US) | 1996-04-23 | — | — | US | disclosed |