Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.45 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.45 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.45 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9976045 | 0.84 | ALDH1A1 (0.59) | CYP2C9CYP2C19TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL10047889 | 0.77 | ALDH1A1 (0.52) | CYP2C9CYP2C19TP53ALDH1A1GAA | |
| SCHEMBL10047763 | 0.76 | CYP2C19 (0.54) | CYP2C9CYP2C19TP53ALDH1A1GAA | |
| SCHEMBL6333483 | 0.75 | SMN1; SMN2 (0.69) | CYP2C9CYP2C19ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL11068784 | 0.74 | MEN1 (0.61) | CYP2C9CYP2C19TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL17231391 | 0.73 | CYP2C9 (0.72) | CYP2C9CYP2C19TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL12143938 | 0.72 | SMN1; SMN2 (0.57) | TP53ALDH1A1SMN1; SMN2GAAMEN1 | |
| SCHEMBL11169677 | 0.72 | PPID (0.60) | CYP2C9CYP2C19ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL2096445 | 0.72 | SMN1; SMN2 (0.64) | CYP2C9CYP2C19ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL22648480 | 0.71 | MEN1 (0.68) | CYP2C9CYP2C19TP53ALDH1A1SMN1; SMN2 |
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-2012020742-A1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2012-02-16 | — | — | WO | disclosed |