Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1830035 | 1.00 | HRH3 (0.47) | HRH3CA12CA1CA2CA7 | |
| SCHEMBL2204107 | 1.00 | HRH3 (0.47) | HRH3CA12CA1CA2CA7 | |
| SCHEMBL2183875 | 0.87 | SMN1; SMN2 (0.52) | HRH3CA12CA1CA2CA7 | |
| SCHEMBL1830508 | 0.87 | SMN1; SMN2 (0.52) | HRH3CA12CA1CA2CA7 | |
| SCHEMBL20762021 | 0.85 | KEAP1 (0.53) | HRH3CA12CA1CA2CA7 | |
| SCHEMBL1447319 | 0.84 | KEAP1 (0.55) | HRH3CA12CA1CA2CA7 | |
| SCHEMBL23471239 | 0.79 | KEAP1 (0.66) | HRH3EPHX2SMN1; SMN2KEAP1TSHR | |
| SCHEMBL9812536 | 0.78 | SMN1; SMN2 (0.56) | HRH3SMN1; SMN2KEAP1TSHRKDM4E | |
| SCHEMBL1830494 | 0.77 | EPHX2 (0.53) | EPHX2SMN1; SMN2KEAP1KDM4EALDH1A1 | |
| SCHEMBL1831207 | 0.77 | EPHX2 (0.53) | EPHX2SMN1; SMN2KEAP1KDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2342181-A1 | NOVEL UREA AND THIOUREA DERIVATIVES | Topo Target A/S (DK) | 2011-07-13 | — | — | EP | disclosed |
| EP-2318369-A1 | SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE | TopoTarget A/S (DK) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010066709-A1 | NOVEL PYRIDINYL ACRYLAMIDE DERIVATIVES | TOPOTARGET A/S (DK) | 2010-06-17 | — | — | WO | disclosed |