Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | HPGD | P15428 | 4/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | GLA | P06280 | 2/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | ATM | Q13315 | 1/20 | 0.67 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.65 |
| ▸ | IKBKB | O14920 | 2/20 | 0.65 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.54 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | OGG1 | O15527 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29285354 | 0.85 | OGG1 (0.69) | ALDH1A1HPGDMAPTKDM4EMEN1 | |
| SCHEMBL15766514 | 0.81 | LIMK1 (0.71) | ALDH1A1HPGDMAPTKDM4EMEN1 | |
| SCHEMBL30173777 | 0.80 | KDM4E (1.00) | ALDH1A1HPGDMAPTKDM4EMEN1 | |
| SCHEMBL7984062 | 0.80 | HDAC1 (0.79) | ALDH1A1HPGDMAPTKDM4EMEN1 | |
| SCHEMBL1101766 | 0.80 | KDM4E (1.00) | ALDH1A1HPGDMAPTKDM4EMEN1 | |
| SCHEMBL1919937 | 0.79 | LIMK1 (0.73) | ALDH1A1HPGDMAPTKDM4EMEN1 | |
| SCHEMBL6609258 | 0.79 | LIMK1 (1.00) | ALDH1A1HPGDMAPTKDM4EMEN1 | |
| SCHEMBL4724459 | 0.78 | KDM4E (0.70) | ALDH1A1HPGDMAPTKDM4EMEN1 | |
| SCHEMBL11683541 | 0.75 | ALDH1A1 (0.61) | ALDH1A1HPGDMAPTKDM4EMEN1 | |
| SCHEMBL16581218 | 0.75 | GABRA1 (0.77) | ALDH1A1HPGDMAPTKDM4EMEN1 |
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-1874295-A4 | BENZOTHIOPHENE DERIVATIVES | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1874295-A1 | BENZOTHIOPHENE DERIVATIVES | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006115845-A1 | BENZOTHIOPHENE DERIVATIVES | MERCK & CO., INC. (US) | 2006-11-02 | — | — | WO | disclosed |