Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 19/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 17/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8852215 | 0.90 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL8851458 | 0.89 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL18233629 | 0.88 | — | — | |
| SCHEMBL8851762 | 0.81 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL8851153 | 0.80 | — | — | |
| SCHEMBL8851127 | 0.80 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL8851141 | 0.79 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL8852154 | 0.79 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL18236809 | 0.77 | CXCR4 (0.31) | — | |
| SCHEMBL23377075 | 0.76 | SLC6A4 (0.49) | SLC6A2SLC6A4SLC6A3NOS3NOS1 |
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 |