Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2020206 | 0.77 | ELANE (0.39) | ALDH1A1ERN1GAA | |
| SCHEMBL12574920 | 0.75 | MAPT (0.44) | ALDH1A1CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL2018164 | 0.72 | PARP1 (0.37) | ALDH1A1MAPTERN1KDM4EGAA | |
| SCHEMBL2023434 | 0.69 | ERN1 (0.49) | ALDH1A1CYP1A2MAPTERN1KDM4E | |
| SCHEMBL5125503 | 0.64 | TSHR (0.56) | ALDH1A1CYP1A2MAPTKDM4EGAA | |
| SCHEMBL3557070 | 0.63 | ALDH1A1 (0.68) | ALDH1A1CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL30380388 | 0.63 | ALDH1A1 (0.68) | ALDH1A1CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL2606618 | 0.62 | PARP1 (0.56) | ALDH1A1 | |
| SCHEMBL7102004 | 0.62 | MAOA (0.41) | ALDH1A1ATM | |
| SCHEMBL5117247 | 0.61 | MAPT (0.44) | ALDH1A1MAPTERN1GAAKMT2A |
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-2010027097-A1 | TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-11 | — | — | WO | disclosed |