Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.57 |
| ▸ | ITGB3 | P05106 | 14/20 | 0.55 |
| ▸ | ITGA2B | P08514 | 14/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ITGAV | P06756 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3126256 | 0.95 | ITGB3 (0.58) | CTRB1ITGB3ITGA2BMAPTL3MBTL1 | |
| SCHEMBL8612079 | 0.91 | CTRB1 (0.60) | CTRB1ITGB3ITGA2BMAPTL3MBTL1 | |
| SCHEMBL8612085 | 0.91 | CTRB1 (0.60) | CTRB1ITGB3ITGA2BMAPTL3MBTL1 | |
| SCHEMBL7301416 | 0.89 | CTRB1 (0.64) | CTRB1ITGB3ITGA2BCYP1A2CYP3A4 | |
| SCHEMBL9484576 | 0.89 | CTRB1 (0.64) | CTRB1ITGB3ITGA2BCYP1A2CYP3A4 | |
| SCHEMBL8775520 | 0.87 | CTRB1 (0.53) | CTRB1ITGB3ITGA2BMAPTL3MBTL1 | |
| SCHEMBL5551626 | 0.86 | CTRB1 (0.60) | CTRB1ITGB3ITGA2BMAPTCYP1A2 | |
| SCHEMBL3134015 | 0.86 | ATM (0.62) | CTRB1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11581174 | 0.86 | ATM (0.62) | CTRB1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10084883 | 0.86 | ITGB3 (0.51) | CTRB1ITGB3ITGA2BMAPTL3MBTL1 |
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-0794939-A1 | NOVEL MULTIPLE-SUBSTITUENT DTPA DERIVATIVES AND METAL COMPLEXES THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPLEXES, THEIR USE IN DIAGNOSIS AND THERAPY, METHODS OF PREPARING THE COMPLEXING AGENTS AND COMPLEXES AND METHODS OF PREPARING THE PHARMACEUTICAL COMPOSITIONS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-09-17 | — | — | EP | disclosed |
| WO-1996016929-A1 | NOVEL MULTIPLE-SUBSTITUENT DTPA DERIVATIVES AND METAL COMPLEXES THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPLEXES, THEIR USE IN DIAGNOSIS AND THERAPY, METHODS OF PREPARING THE COMPLEXING AGENTS AND COMPLEXES AND METHODS OF PREPARING THE PHARMACEUTICAL COMPOSITIONS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-06-06 | — | — | WO | disclosed |