Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLA1 | P09884 | 11/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SOD1 | P00441 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15978371 | 1.00 | POLA1 (0.48) | POLA1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL15978302 | 0.91 | POLA1 (0.46) | POLA1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL806502 | 0.82 | POLA1 (0.63) | POLA1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL15978299 | 0.82 | POLA1 (0.63) | POLA1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL15980588 | 0.77 | POLA1 (0.41) | POLA1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL806818 | 0.77 | POLA1 (0.41) | POLA1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL9880751 | 0.75 | POLA1 (0.51) | POLA1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL806727 | 0.74 | SRD5A1 (0.46) | NR1H2NR1H3 | |
| SCHEMBL15978295 | 0.74 | SRD5A1 (0.46) | NR1H2NR1H3 | |
| SCHEMBL15978421 | 0.70 | POLA1 (0.34) | POLA1CYP2C9TSHRCYP2C19CYP3A4 |
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 |