Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLA1 | P09884 | 6/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15978322 | 1.00 | POLA1 (0.76) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL14047593 | 0.86 | POLA1 (0.73) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL13165178 | 0.83 | CYP3A4 (1.00) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19770999 | 0.83 | CYP3A4 (1.00) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5530208 | 0.83 | CYP3A4 (1.00) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL280198 | 0.82 | POLA1 (1.00) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5510769 | 0.82 | POLA1 (1.00) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL12872352 | 0.82 | POLA1 (1.00) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL24177920 | 0.81 | POLA1 (0.81) | POLA1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19770990 | 0.81 | POLA1 (0.81) | POLA1CYP3A4CYP2C9TSHRCYP2C19 |
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-2012037069-A2 | UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-03-22 | — | — | WO | disclosed |