Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 7/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | RARB | P10826 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28577854 | 0.83 | TP53 (0.49) | TP53TSHRPLA2G4BCA1CA2 | |
| SCHEMBL9225206 | 0.77 | TP53 (0.54) | TP53TSHRPLA2G4BCA1CA2 | |
| SCHEMBL9225196 | 0.77 | TP53 (0.54) | TP53TSHRPLA2G4BCA1CA2 | |
| SCHEMBL3097035 | 0.75 | CA1 (0.50) | TP53TSHRPLA2G4BCA1CA2 | |
| SCHEMBL3097033 | 0.75 | CA1 (0.50) | TP53TSHRPLA2G4BCA1CA2 | |
| SCHEMBL9243495 | 0.75 | CA1 (0.59) | TP53TSHRPLA2G4BCA1CA2 | |
| Terephthalic Acid SCHEMBL28348573 | 0.75 | ALDH1A1 (0.54) | TP53TSHRPLA2G4BCA2RARB | |
| SCHEMBL8378126 | 0.74 | TP53 (0.59) | TP53TSHRPLA2G4BRARBALDH1A1 | |
| SCHEMBL8378127 | 0.74 | TP53 (0.59) | TP53TSHRPLA2G4BRARBALDH1A1 | |
| SCHEMBL6925756 | 0.74 | TP53 (0.59) | TP53TSHRPLA2G4BRARBALDH1A1 |
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-0381713-B1 | DIAMINEDITHIOL CHELATING AGENTS FOR RADIOPHARMACEUTICALS | MALLINCKRODT INC (US) | 1994-01-19 | — | — | EP | disclosed |
| EP-0381713-A4 | DIAMINEDITHIOL CHELATING AGENTS FOR RADIOPHARMACEUTICALS | — | 1991-05-08 | — | — | EP | disclosed |
| EP-0381713-A1 | DIAMINEDITHIOL CHELATING AGENTS FOR RADIOPHARMACEUTICALS. | MALLINCKRODT INC (US) | 1990-08-16 | — | — | EP | disclosed |
| WO-1989010759-A1 | DIAMINEDITHIOL CHELATING AGENTS FOR RADIOPHARMACEUTICALS | MALLINCKRODT, INC. (US) | 1989-11-16 | — | — | WO | disclosed |