Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL6050562 | 0.92 | CHRM2 (0.43) | NOS3NOS1NOS2CHRM2 | |
| SCHEMBL8851861 | 0.88 | NOS3 (0.36) | NOS3NOS1NOS2SLC6A2SLC6A4 | |
| SCHEMBL6967400 | 0.85 | — | — | |
| SCHEMBL24654499 | 0.83 | CHRM2 (0.37) | CHRM2SLC6A2SLC6A4 | |
| SCHEMBL1307919 | 0.82 | ALDH1A1 (0.40) | NOS3NOS1NOS2SLC6A2SLC6A4 | |
| SCHEMBL5912808 | 0.82 | SLC6A2 (0.42) | NOS2SLC6A2SLC6A4 | |
| SCHEMBL1307225 | 0.82 | NOS3 (0.35) | NOS3NOS1NOS2SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL5572628 | 0.81 | NOS3 (0.38) | NOS3NOS1NOS2SLC6A2SLC6A4 | |
| SCHEMBL21727230 | 0.80 | NOS3 (0.34) | NOS3NOS1NOS2SLC6A2SLC6A4 | |
| SCHEMBL8781575 | 0.80 | GNAO1 (0.42) | SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5618814-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds | DR. KARL THOMAE GMBH (DE) | 1997-04-08 | — | — | US | disclosed |