Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.52 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.52 |
| ▸ | CPA3 | P15088 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | PTGES | O14684 | 2/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8770428 | 0.86 | S1PR1 (0.56) | S1PR1S1PR3S1PR2ALDH1A1HPGD | |
| SCHEMBL31303730 | 0.82 | CPA3 (0.75) | CPA3MAPTRXFP1FOLH1 | |
| SCHEMBL28600681 | 0.82 | CPA3 (0.75) | CPA3MAPTRXFP1FOLH1 | |
| SCHEMBL11143841 | 0.82 | CPA3 (0.75) | CPA3MAPTRXFP1FOLH1 | |
| SCHEMBL28430963 | 0.82 | CPA3 (0.75) | CPA3MAPTRXFP1FOLH1 | |
| SCHEMBL25173315 | 0.82 | MAPT (0.69) | S1PR1S1PR3S1PR2ALDH1A1HPGD | |
| SCHEMBL8079984 | 0.82 | MAPT (0.69) | S1PR1S1PR3S1PR2ALDH1A1HPGD | |
| Phenylbutanoic Acid SCHEMBL5010097 | 0.82 | HDAC3 (0.60) | S1PR1S1PR3S1PR2CPA3PTGES | |
| Dodecanoate SCHEMBL6299036 | 0.82 | CPA3 (0.57) | CPA3PTGESALOX5PPARGFOLH1 | |
| SCHEMBL8747294 | 0.81 | CYSLTR2 (0.54) | CPA3PTGESALOX5PPARGCYSLTR2 |
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-0794800-A1 | USE OF CHELATE COMPOUNDS AS DIAGNOSTIC AGENTS IN THE X-RAY EXAMINATION OF LIVER AND BILE DUCTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-09-17 | — | — | EP | disclosed |
| WO-1996016678-A1 | USE OF CHELATE COMPOUNDS AS DIAGNOSTIC AGENTS IN THE X-RAY EXAMINATION OF LIVER AND BILE DUCTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-06-06 | — | — | WO | disclosed |