Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL636947 | 0.80 | DRD5 (0.31) | CYP3A4 | |
| SCHEMBL669225 | 0.73 | CYP3A4 (0.59) | CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL10274463 | 0.73 | PTGS1 (0.41) | CYP1A2CYP2C9CYP2C19PTGS2 | |
| SCHEMBL11854767 | 0.73 | CYP1A2 (0.36) | CYP3A4CYP1A2CYP2C9CYP2C19PTGS2 | |
| SCHEMBL10274494 | 0.70 | CNR1 (0.41) | CYP3A4PTGS2 | |
| SCHEMBL9145627 | 0.69 | PTGS2 (0.46) | CYP3A4PTGS2 | |
| SCHEMBL8574152 | 0.69 | CA2 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2298411 | 0.69 | TLR3 (0.34) | CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1828738 | 0.68 | NPC1 (0.36) | — | |
| SCHEMBL10902822 | 0.67 | DHFR (0.37) | CYP3A4 |
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-1995018971-A1 | METHODS FOR THE SOLID PHASE SYNTHESIS OF GLYCOCONJUGATES | AFFYMAX TECHNOLOGIES N.V. (NL) | 1995-07-13 | — | — | WO | disclosed |