Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | POLB | P06746 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4749191 | 0.91 | ALDH1A1 (0.71) | SMN1; SMN2ALDH1A1POLBMAPTCYP2C9 | |
| SCHEMBL1913731 | 0.85 | SMN1; SMN2 (0.71) | SMN1; SMN2ALDH1A1POLBMAPTCYP2C9 | |
| SCHEMBL13964371 | 0.85 | SMN1; SMN2 (0.77) | SMN1; SMN2ALDH1A1POLBMAPTCYP2C9 | |
| SCHEMBL4619569 | 0.84 | SMN1; SMN2 (0.71) | SMN1; SMN2ALDH1A1POLBMAPTCYP2C9 | |
| SCHEMBL10278886 | 0.82 | SMN1; SMN2 (0.68) | SMN1; SMN2ALDH1A1POLBMAPTCYP2C9 | |
| SCHEMBL28586827 | 0.81 | SMN1; SMN2 (0.66) | SMN1; SMN2ALDH1A1POLBMAPTCYP2C9 | |
| SCHEMBL11743398 | 0.80 | SMN1; SMN2 (0.60) | SMN1; SMN2ALDH1A1POLBMAPTCYP2C9 | |
| SCHEMBL4595458 | 0.80 | SMN1; SMN2 (0.64) | SMN1; SMN2ALDH1A1POLBMAPTKDM4E | |
| SCHEMBL13664775 | 0.79 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1POLBKDM4EMEN1 | |
| SCHEMBL15038459 | 0.78 | ERCC1 (0.54) | SMN1; SMN2ALDH1A1POLBMAPTCYP2C9 |
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-2008136754-A1 | NOVEL BENZYL - 2 -OXO-PIPERAZINYL/ 7-OXO/5-OXA- [1,4] DIAZEPANYL/ 2 -OXO- TETRAHYDROPYRIMIDINYL DERIVATIVES | ASTRAZENECA AB (SE) | 2008-11-13 | — | — | WO | disclosed |