Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | SLC29A1 | Q99808 | 15/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5040197 | 0.86 | CYP1A2 (0.52) | CYP1A2SLC29A1CYP2C19 | |
| SCHEMBL14203593 | 0.80 | CYP1A2 (0.42) | CYP1A2SLC29A1 | |
| SCHEMBL14203592 | 0.79 | CYP1A2 (0.40) | CYP1A2SLC29A1CYP2C19 | |
| SCHEMBL5046290 | 0.78 | SLC29A1 (0.39) | SLC29A1 | |
| SCHEMBL14203624 | 0.78 | CYP1A2 (0.46) | CYP1A2SLC29A1 | |
| SCHEMBL6664688 | 0.75 | SLC29A1 (0.57) | CYP1A2SLC29A1 | |
| SCHEMBL6666246 | 0.75 | CYP1A2 (0.68) | CYP1A2SLC29A1CYP2C19 | |
| SCHEMBL6288483 | 0.70 | SLC29A1 (0.63) | SLC29A1 | |
| SCHEMBL5037582 | 0.66 | CYP1A2 (0.50) | CYP1A2SLC29A1CYP2C19 | |
| SCHEMBL14203575 | 0.64 | SLC29A1 (0.40) | CYP1A2SLC29A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7358235-B2 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2008-04-15 | — | — | US | disclosed |
| US-7358235-B2 | Analogs of nitrobenzylthioinosine | GRUENENTHAL GMBH (DE) | 2008-04-15 | — | — | US | disclosed |