Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8770584 | 0.89 | CYP1A2 (0.44) | ALDH1A1L3MBTL1MAPTATMCYP3A4 | |
| SCHEMBL8669649 | 0.77 | ALDH1A1 (0.66) | ALDH1A1MAPK1CYP2D6CYP3A4RECQL | |
| SCHEMBL5696534 | 0.76 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1MAPTNPSR1ATM | |
| SCHEMBL9193879 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TDP1 | |
| SCHEMBL21327640 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TDP1 | |
| SCHEMBL9001841 | 0.74 | S1PR2 (0.39) | ALDH1A1L3MBTL1MAPTNPSR1KDM4E | |
| SCHEMBL14478203 | 0.74 | L3MBTL1 (0.53) | ALDH1A1L3MBTL1MAPTNPSR1ATM | |
| Hydrochloric Acid SCHEMBL20873184 | 0.73 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1MEN1KMT2ATDP1 | |
| Hydrochloric Acid SCHEMBL21852429 | 0.73 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1MEN1KMT2ATDP1 | |
| Hydrochloric Acid SCHEMBL21852427 | 0.73 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1MEN1KMT2ATDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0794799-A2 | USE OF METAL COMPLEXES AS LIVER AND GALL BLADDER RADIODIAGNOSIS AGENTS IN COMPUTER TOMOGRAPHY | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-09-17 | — | — | EP | disclosed |
| 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 |
| WO-1996016677-A2 | USE OF METAL COMPLEXES AS LIVER AND GALL BLADDER RADIODIAGNOSIS AGENTS IN COMPUTER TOMOGRAPHY | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-06-06 | — | — | WO | disclosed |