Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 4/20 | 0.47 |
| ▸ | TDO2 | P48775 | 2/20 | 0.47 |
| ▸ | NAAA | Q02083 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CPB1 | P15086 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6279081 | 1.00 | KCNQ2 (0.48) | KCNQ2IDO1TDO2NAAAALDH1A1 | |
| SCHEMBL4118291 | 1.00 | KCNQ2 (0.48) | KCNQ2IDO1TDO2NAAAALDH1A1 | |
| SCHEMBL4128780 | 1.00 | KCNQ2 (0.48) | KCNQ2IDO1TDO2NAAAALDH1A1 | |
| SCHEMBL4118294 | 1.00 | KCNQ2 (0.48) | KCNQ2IDO1TDO2NAAAALDH1A1 | |
| SCHEMBL19472541 | 0.85 | KCNQ2 (0.46) | KCNQ2NAAAALDH1A1GAACPB1 | |
| SCHEMBL8060970 | 0.84 | KCNQ2 (0.46) | KCNQ2NAAACPB1TSHR | |
| SCHEMBL8060971 | 0.84 | KCNQ2 (0.46) | KCNQ2NAAACPB1TSHR | |
| SCHEMBL8060977 | 0.84 | KCNQ2 (0.46) | KCNQ2NAAACPB1TSHR | |
| SCHEMBL17758594 | 0.84 | NAAA (0.59) | NAAAALDH1A1GAA | |
| SCHEMBL6196628 | 0.84 | NAAA (0.47) | KCNQ2NAAAALDH1A1GAACPB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740547-A1 | PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005100321-A1 | PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-10-27 | — | — | WO | disclosed |