Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
| ▸ | XDH | P47989 | 5/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7428711 | 0.89 | BACE1 (0.43) | BACE1XDHALDH1A1HSD17B10MAPT | |
| SCHEMBL7684164 | 0.67 | BACE1 (0.46) | BACE1XDHALDH1A1HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL7663616 | 0.65 | BACE1 (0.62) | BACE1XDHALDH1A1 | |
| SCHEMBL4809195 | 0.65 | BACE1 (1.00) | BACE1XDHALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL4141928 | 0.63 | BACE1 (1.00) | BACE1XDHALDH1A1CYP3A4BLM | |
| Benzene SCHEMBL8508944 | 0.62 | BACE1 (0.69) | BACE1XDHALDH1A1CYP3A4BLM | |
| SCHEMBL7421945 | 0.61 | PARP1 (0.36) | XDHALDH1A1TDP1MAPT | |
| SCHEMBL2403638 | 0.61 | BACE1 (0.73) | BACE1XDHALDH1A1CYP3A4BLM | |
| SCHEMBL9242061 | 0.61 | BACE1 (0.78) | BACE1XDHCYP3A4BLM | |
| SCHEMBL6474158 | 0.60 | BACE1 (0.76) | BACE1XDH |
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-1054871-A2 | PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2000-11-29 | — | — | EP | disclosed |
| WO-1999050249-A2 | PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-10-07 | — | — | WO | disclosed |