Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 5/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13722576 | 0.88 | NAAA (0.37) | ALDH1A1MMP1MMP3MMP9KMT2A | |
| SCHEMBL12503614 | 0.86 | NAAA (0.36) | ALDH1A1MMP1MMP3MMP9NAAA | |
| SCHEMBL8289014 | 0.86 | MMP1 (0.34) | ALDH1A1MMP1MMP3MMP9BACE1 | |
| SCHEMBL8266725 | 0.84 | MMP1 (0.32) | ALDH1A1MMP1MMP3MMP9CTSD | |
| SCHEMBL8265701 | 0.84 | HPGD (0.37) | ALDH1A1MMP1MMP3MMP9CTSD | |
| SCHEMBL14105259 | 0.83 | CYP3A4 (0.34) | ALDH1A1MMP1MMP3MMP9CYP2C9 | |
| SCHEMBL13721890 | 0.83 | GPBAR1 (0.35) | ALDH1A1SMN1; SMN2NAAA | |
| SCHEMBL8288074 | 0.83 | LMNA (0.35) | ALDH1A1MMP1MMP3MMP9CTSD | |
| SCHEMBL13723078 | 0.82 | MMP1 (0.39) | ALDH1A1MMP1MMP3MMP9TDP1 | |
| SCHEMBL12593393 | 0.81 | ALDH1A1 (0.40) | ALDH1A1MMP1MMP3MMP9CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005058311-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2005-06-30 | — | — | WO | disclosed |