Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9321110 | 0.81 | TXNRD1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL4766574 | 0.78 | CA1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL9320555 | 0.77 | KMT2A (0.32) | ALDH1A1HTTMAPTNPSR1 | |
| SCHEMBL4770148 | 0.71 | GAA (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9319927 | 0.71 | HTT (0.53) | ALDH1A1HTT | |
| SCHEMBL10682145 | 0.70 | HDAC1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4145387 | 0.70 | ALDH1A1 (0.44) | ALDH1A1HTTCYP2C9CYP2C19 | |
| SCHEMBL4362006 | 0.70 | ALDH1A1 (0.38) | ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL10687757 | 0.69 | HDAC1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9320310 | 0.69 | CA1 (0.53) | ALDH1A1HTTMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1303496-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002004429-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2002-01-17 | — | — | WO | disclosed |