Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL13664899 | 0.75 | PCSK9 (0.48) | POLBKMT2AALDH1A1HPGDCYP3A4 | |
| SCHEMBL2721345 | 0.74 | TSHR (0.40) | ALDH1A1MAPTSMN1; SMN2TSHR | |
| SCHEMBL11428638 | 0.70 | RAB9A (0.48) | POLBKMT2AALDH1A1CYP3A4APEX1 | |
| SCHEMBL7826165 | 0.70 | BACE1 (0.39) | MAPT | |
| SCHEMBL25395654 | 0.69 | SLC6A4 (0.38) | ALDH1A1HPGDMAPTTP53GAA | |
| SCHEMBL13665269 | 0.69 | CYP3A4 (0.39) | KMT2AALDH1A1HPGDCYP3A4APEX1 | |
| SCHEMBL111602 | 0.66 | CA14 (0.40) | — | |
| SCHEMBL735192 | 0.66 | L3MBTL1 (0.47) | POLBKMT2AALDH1A1CYP3A4MEN1 | |
| SCHEMBL13665284 | 0.65 | AAK1 (0.43) | POLBKMT2AALDH1A1CYP3A4MEN1 | |
| SCHEMBL13664728 | 0.65 | BACE1 (0.43) | KMT2ACYP3A4MEN1LMNAMAPT |
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-2009119528-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |