Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | PPM1B | O75688 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1333228 | 0.85 | ALDH1A1 (0.56) | CYP1A2CYP2C19ALDH1A1KDM4EHPGD | |
| SCHEMBL631270 | 0.85 | ALDH1A1 (0.56) | CYP1A2CYP2C19ALDH1A1KDM4EHPGD | |
| Ethylene Glycol SCHEMBL29002151 | 0.81 | ALDH1A1 (0.51) | CYP1A2CYP2C19ALDH1A1KDM4EHPGD | |
| SCHEMBL14674752 | 0.76 | ALDH1A1 (0.50) | CYP1A2CYP2C19ALDH1A1KDM4EHPGD | |
| Succinic Acid SCHEMBL31137819 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP2C19ALDH1A1KDM4EHPGD | |
| SCHEMBL12100863 | 0.75 | ALDH1A1 (0.53) | CYP1A2CYP2C19ALDH1A1KDM4EHPGD | |
| SCHEMBL30773222 | 0.74 | ALDH1A1 (0.49) | CYP1A2CYP2C19ALDH1A1KDM4EHPGD | |
| SCHEMBL1226562 | 0.73 | ALDH1A1 (0.54) | CYP1A2CYP2C19ALDH1A1KDM4EHPGD | |
| SCHEMBL846234 | 0.73 | ALDH1A1 (0.47) | CYP1A2CYP2C19ALDH1A1KDM4EHPGD | |
| SCHEMBL17821007 | 0.73 | ALDH1A1 (0.47) | CYP1A2CYP2C19ALDH1A1KDM4EHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2009505946-A | — | — | 2009-02-12 | — | — | JP | claimed |
| EP-1904460-A1 | MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY | BRACCO IMAGING S.p.A. (IT) | 2008-04-02 | — | — | EP | claimed |
| WO-2006136564-A1 | MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY | BRACCO IMAGING S.P.A. (IT) | 2006-12-28 | — | — | WO | claimed |
| EP-1904460-A1 | MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY | BRACCO IMAGING S.p.A. (IT) | 2008-04-02 | — | — | EP | disclosed |
| WO-2006136564-A9 | MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY | BRACCO IMAGING SPA (IT) | 2008-02-07 | — | — | WO | disclosed |
| WO-2006136564-A1 | MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY | BRACCO IMAGING S.P.A. (IT) | 2006-12-28 | — | — | WO | disclosed |