Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | CPA1 | P15085 | 1/20 | 0.43 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8668738 | 0.90 | CTRB1 (0.52) | CTRB1CTSLCTSSSYKCTSK | |
| SCHEMBL8666808 | 0.86 | ITGB3 (0.46) | CTRB1CTSLCTSSSYKCTSK | |
| SCHEMBL8668133 | 0.85 | SIRT2 (0.52) | CTSLCTSSCTSKALDH1A1ITGB3 | |
| SCHEMBL3126256 | 0.84 | ITGB3 (0.58) | CTRB1CTSLCTSSCTSKL3MBTL1 | |
| SCHEMBL14385309 | 0.81 | CTRB1 (0.51) | CTRB1CTSLCTSSSYKCTSK | |
| SCHEMBL8775071 | 0.80 | CTRB1 (0.57) | CTRB1CYP3A4ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL8749524 | 0.80 | CYP3A4 (0.55) | CTRB1CTSLCTSKCYP3A4ALDH1A1 | |
| SCHEMBL29603779 | 0.80 | CYP3A4 (0.55) | CTRB1CTSLCTSKCYP3A4ALDH1A1 | |
| SCHEMBL8352939 | 0.80 | CTSL (0.60) | CTRB1CTSLCTSSSYKCTSK | |
| SCHEMBL31479939 | 0.80 | CTSL (0.60) | CTRB1CTSLCTSSSYKCTSK |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5853699-A | Use of tetra azacycle complexes as x-ray diagnostic agents for the liver and gallbladder | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-12-29 | — | — | US | disclosed |
| 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 |