Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.50 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11531217 | 0.90 | ALDH1A1 (0.70) | MLYCDALDH1A1HPGDL3MBTL1NPC1 | |
| SCHEMBL11212992 | 0.84 | HPGD (0.72) | ALDH1A1HPGDL3MBTL1MAPTGAA | |
| SCHEMBL14339827 | 0.82 | HPGD (0.53) | MLYCDALDH1A1HPGDL3MBTL1MAPT | |
| SCHEMBL5166929 | 0.81 | HPGD (0.68) | MLYCDALDH1A1HPGDL3MBTL1MAPT | |
| SCHEMBL2614245 | 0.81 | HPGD (0.71) | ALDH1A1HPGDL3MBTL1MAPTGAA | |
| SCHEMBL72112 | 0.80 | HPGD (0.85) | MLYCDALDH1A1HPGDL3MBTL1MAPT | |
| SCHEMBL4351971 | 0.80 | ALDH1A1 (0.52) | MLYCDALDH1A1L3MBTL1NPC1MAPT | |
| SCHEMBL11213668 | 0.80 | HPGD (0.69) | ALDH1A1HPGDL3MBTL1NPC1MAPT | |
| SCHEMBL1003828 | 0.80 | HPGD (0.66) | ALDH1A1HPGDL3MBTL1MAPTGAA | |
| Hydrochloric Acid SCHEMBL6612619 | 0.79 | HPGD (0.81) | MLYCDALDH1A1HPGDL3MBTL1MAPT |
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-2056829-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | Exelixis, Inc. (US) | 2009-05-13 | — | — | EP | claimed |
| WO-2008021389-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS, INC. (US) | 2008-02-21 | — | — | WO | claimed |