Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10407445 | 0.83 | RAPGEF4 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL5342294 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL28023659 | 0.77 | PLCG1 (0.60) | POLBKMT2AMAPTRECQLCA2 | |
| SCHEMBL7405609 | 0.75 | TP53 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19HPGD | |
| SCHEMBL11686796 | 0.74 | GAA (0.41) | ALDH1A1POLBKDM4EGAAMEN1 | |
| SCHEMBL11137010 | 0.73 | MCHR1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL11060404 | 0.73 | MCHR1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL22057011 | 0.73 | GLA (0.36) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL11529208 | 0.72 | CA2 (0.50) | ALDH1A1CYP3A4POLBKDM4EMEN1 | |
| SCHEMBL15478494 | 0.72 | L3MBTL1 (0.44) | ALDH1A1MEN1KMT2ALMNATSHR |
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-2139522-A2 | MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS | Colby Pharmaceutical Company (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008109740-A2 | MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS | COLBY PHARMACEUTICAL COMPANY (US) | 2008-09-12 | — | — | WO | disclosed |