Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5721329 | 0.92 | AKR1C3 (0.30) | — | |
| SCHEMBL5721625 | 0.88 | — | — | |
| SCHEMBL5721445 | 0.88 | RXRA (0.30) | — | |
| SCHEMBL5721155 | 0.87 | — | — | |
| SCHEMBL5721852 | 0.86 | RORC (0.31) | — | |
| SCHEMBL5721622 | 0.86 | — | — | |
| SCHEMBL5721521 | 0.84 | — | — | |
| SCHEMBL5721491 | 0.84 | — | — | |
| SCHEMBL5721851 | 0.83 | CYP1A2 (0.30) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL1684059 | 0.81 | RXRA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1640377-A1 | Metallocenes and catalyst compositions derived therefrom | Exxonmobil Chemical Patents Inc. (US) | 2006-03-29 | — | — | EP | disclosed |