Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29272751 | 0.82 | BRD4 (0.39) | CYP1A2ATAD2BRD4GRIN2DGRIN3B | |
| SCHEMBL14873867 | 0.82 | CYP1A2 (0.41) | CYP1A2CYP2C19TNKS2GRIN2DGRIN3B | |
| Marcanin A SCHEMBL29923975 | 0.76 | RAB9A (0.47) | CYP1A2CYP2C19TNKS2KDM4ETP53 | |
| SCHEMBL20415202 | 0.73 | TNKS2 (0.37) | CYP1A2CYP2C19TNKS2KDM4EUPP1 | |
| SCHEMBL30201452 | 0.72 | TNKS2 (0.46) | CYP1A2CYP2C19TNKS2KDM4ETP53 | |
| SCHEMBL16380987 | 0.71 | GRIN2D (0.37) | CYP1A2CYP2C19TNKS2GRIN2DGRIN3B | |
| SCHEMBL8916400 | 0.70 | RAB9A (0.48) | CYP1A2CYP2C19BRD4KDM4ETP53 | |
| SCHEMBL7822034 | 0.69 | KMT2A (0.45) | KDM4EJAK1ALDH1A1HPGD | |
| SCHEMBL16380986 | 0.68 | AR (0.36) | CYP1A2CYP2C19TNKS2GRIN2DGRIN3B | |
| SCHEMBL7815625 | 0.67 | TNKS2 (0.32) | TNKS2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695752-B1 | ANTHRAQUINONIC DERIVATIVES HAVING AN ANTITUMOR ACTIVITY, AND APPLICATIONS THEREOF | UNIV MADRID COMPLUTENSE (ES) | 2001-06-06 | — | — | EP | disclosed |
| EP-0695752-B1 | ANTHRAQUINONIC DERIVATIVES HAVING AN ANTITUMOR ACTIVITY, AND APPLICATIONS THEREOF | UNIV MADRID COMPLUTENSE (ES) | 2001-06-06 | — | — | EP | disclosed |
| US-5716963-A | DIAZAQUINOMYCIN DERIVATIVE | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1998-02-10 | — | — | US | disclosed |
| US-5716963-A | DIAZAQUINOMYCIN DERIVATIVE | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1998-02-10 | — | — | US | disclosed |
| EP-0695752-A1 | NEW ANTHRAQUINONIC DERIVATIVES HAVING AN ANTITUMOR ACTIVITY, AND APPLICATIONS THEREOF | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1996-02-07 | — | — | EP | disclosed |
| EP-0695752-A1 | NEW ANTHRAQUINONIC DERIVATIVES HAVING AN ANTITUMOR ACTIVITY, AND APPLICATIONS THEREOF | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1996-02-07 | — | — | EP | disclosed |
| WO-1995023145-A1 | NEW ANTHRAQUINONIC DERIVATIVES HAVING AN ANTITUMOR ACTIVITY, AND APPLICATIONS THEREOF | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1995-08-31 | — | — | WO | disclosed |