Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14046649 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTIMPDH2KDM4EGAA | |
| SCHEMBL20714813 | 0.76 | HTT (0.33) | ALDH1A1MAPTSLC22A12CYP1A2CYP3A4 | |
| SCHEMBL28254037 | 0.76 | AR (0.39) | ALDH1A1MAPTIMPDH2KDM4EGAA | |
| SCHEMBL21159847 | 0.73 | MAOB (0.34) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL12117937 | 0.73 | ABCG2 (0.46) | ALDH1A1MAPTIMPDH2SLC22A12HTT | |
| SCHEMBL22764029 | 0.72 | ALDH1A1 (0.31) | ALDH1A1CYP3A4 | |
| SCHEMBL6125193 | 0.72 | IDO1 (0.54) | ALDH1A1SLC22A12GAALMNAIDO1 | |
| SCHEMBL6656206 | 0.72 | TRPV4 (0.52) | ALDH1A1MAPT | |
| SCHEMBL13667299 | 0.72 | LMNA (0.45) | ALDH1A1MAPTKDM4EGAALMNA | |
| SCHEMBL13361828 | 0.72 | TRPV4 (0.38) | ALDH1A1SLC22A12KDM4ECYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2551270-B1 | PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS | UNIV CALIFORNIA (US) | 2019-06-12 | — | — | EP | disclosed |