Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4643422 | 0.89 | CYP3A4 (0.43) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL4644056 | 0.85 | CYP3A4 (0.46) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL4639989 | 0.82 | TDP1 (0.47) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL10455858 | 0.82 | CYP3A4 (0.59) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL4641134 | 0.81 | TSHR (0.41) | CYP3A4SMN1; SMN2TDP1ALDH1A1NR1H2 | |
| SCHEMBL7170533 | 0.79 | KDM4E (0.44) | CYP3A4SMN1; SMN2ALDH1A1HPGDKDM4E | |
| SCHEMBL1606232 | 0.77 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL11215789 | 0.77 | CYP3A4 (0.58) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL13140800 | 0.76 | CYP3A4 (0.61) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD | |
| SCHEMBL571273 | 0.76 | CYP3A4 (0.61) | CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD |
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-1120391-B1 | MOLECULAR COMPOUNDS CONTAINING NOVEL CARBOXYLIC ACID DERIVATIVES AS THE CONSTITUENT COMPOUND | NIPPON SODA CO (JP) | 2008-08-06 | — | — | EP | disclosed |
| US-6566548-B1 | Alkylene- or phenylene- tetrabenzoic acids and derivatives | NIPPON SODA CO., LTD. (JP) | 2003-05-20 | — | — | US | disclosed |
| EP-1120391-A1 | MOLECULAR COMPOUNDS CONTAINING NOVEL CARBOXYLIC ACID DERIVATIVES AS THE CONSTITUENT COMPOUND | NIPPON SODA CO., LTD. (JP) | 2001-08-01 | — | — | EP | disclosed |