Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.35 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.35 |
| ▸ | GLRB | P48167 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.33 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26999348 | 0.86 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL6065994 | 0.81 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL28296890 | 0.81 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL29824185 | 0.80 | CYP3A4 (0.71) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL11087878 | 0.80 | CYP3A4 (0.71) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL28039550 | 0.78 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL5988306 | 0.76 | CYP2C19 (0.66) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL11134140 | 0.76 | CYP2C19 (0.73) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL2786307 | 0.75 | CYP2C9 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL8636495 | 0.74 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR |
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-2004058777-A1 | TITANIUM CENTERED CATALYSTS FOR THE LIVING POLYMERIZATION OF OLEFINS | CORNELL RESEARCH FOUNDATION, INC. (US) | 2004-07-15 | — | — | WO | disclosed |