Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 2/20 | 0.44 |
| ▸ | CHUK | O15111 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13014370 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL16519484 | 0.84 | CA2 (0.68) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL16519485 | 0.84 | CA2 (0.68) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL4752500 | 0.84 | CA2 (0.68) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL6324016 | 0.84 | ADAMTS4 (0.53) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL6324018 | 0.84 | ADAMTS4 (0.53) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL15801255 | 0.83 | NR3C1 (0.51) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL6321590 | 0.83 | TDO2 (0.61) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL6321461 | 0.83 | MMP2 (0.56) | ALDH1A1CA2CA9CA12TSHR | |
| SCHEMBL14316552 | 0.83 | NR3C1 (0.51) | ALDH1A1CA2CA9CA12TSHR |
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-2069341-B1 | PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS | GLAXO GROUP LTD (GB) | 2010-12-29 | — | — | EP | disclosed |