Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | CASP5 | P51878 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CHKA | P35790 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 6/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6028265 | 0.94 | ALDH1A1 (0.67) | ALDH1A1KDM4ECASP1CASP5GAA | |
| SCHEMBL31010361 | 0.92 | ALDH1A1 (0.70) | ALDH1A1KDM4ECASP1CASP5GAA | |
| SCHEMBL7812427 | 0.90 | CHKA (0.68) | ALDH1A1KDM4ECASP1CASP5GAA | |
| SCHEMBL17048623 | 0.87 | ALDH1A1 (0.59) | ALDH1A1KDM4ECASP1CASP5GAA | |
| SCHEMBL8974312 | 0.86 | USP2 (0.52) | ALDH1A1KDM4ECASP1CASP5GAA | |
| SCHEMBL8973698 | 0.86 | USP2 (0.52) | ALDH1A1KDM4ECASP1CASP5GAA | |
| SCHEMBL24565989 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KDM4ECASP1CASP5GAA | |
| SCHEMBL4935986 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KDM4ECASP1CASP5GAA | |
| SCHEMBL10819405 | 0.85 | CHKA (0.57) | ALDH1A1KDM4ECASP1CASP5GAA | |
| SCHEMBL19625264 | 0.85 | CYP2D6 (0.55) | ALDH1A1KDM4ECASP1CASP5GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5536491-A | 19 F poly aza macrocyclic MRI contrast medium | TERUMO KABUSHIKI KAISHA (JP) | 1996-07-16 | — | — | US | disclosed |
| EP-0628316-A1 | 19F-MRI contrast medium, having a macrocyclic complexant moiety | TERUMO KABUSHIKI KAISHA (JP) | 1994-12-14 | — | — | EP | disclosed |