Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17372396 | 0.81 | LMNA (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL16682238 | 0.78 | — | — | |
| SCHEMBL763254 | 0.75 | MAP3K5 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL3002841 | 0.74 | LMNA (0.46) | — | |
| SCHEMBL639897 | 0.72 | HSP90AB1 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL258582 | 0.72 | MAP3K5 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 | |
| SCHEMBL15122012 | 0.71 | MEN1 (0.46) | — | |
| SCHEMBL20117 | 0.71 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL14942504 | 0.70 | CYP1A2 (0.35) | CYP1A2 | |
| SCHEMBL755190 | 0.69 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1 |
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-20150119351-A1 | THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE | LUBIN ADAM (US) | 2015-04-30 | — | — | US | disclosed |