Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | CDC25B | P30305 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5491749 | 0.76 | MAOB (0.55) | ALDH1A1ATMMEN1NPC1RAB9A | |
| Naphthoquinone SCHEMBL27776325 | 0.69 | CDC25B (0.74) | ALDH1A1MEN1KMT2AIDO1CDC25B | |
| Naphthoquinone SCHEMBL27556865 | 0.67 | CDC25B (0.78) | ALDH1A1ATMMEN1NPC1RAB9A | |
| SCHEMBL2004652 | 0.67 | KDM4E (0.71) | ALDH1A1NPC1RAB9AKMT2AHPGD | |
| SCHEMBL29712353 | 0.67 | KDR (0.68) | ALDH1A1ATMMEN1NPC1RAB9A | |
| SCHEMBL2008746 | 0.67 | KDR (0.68) | ALDH1A1ATMMEN1NPC1RAB9A | |
| SCHEMBL15614330 | 0.66 | BACE1 (0.54) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14028213 | 0.66 | PDE4A (0.49) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL525877 | 0.65 | MAPT (0.59) | ALDH1A1ATMMEN1KMT2APDE4A | |
| SCHEMBL12390669 | 0.65 | IDO1 (0.41) | ALDH1A1IDO1CDC25BMAOAMAOB |
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 3 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 |
| 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 |