Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SAT1 | P21673 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8852149 | 0.90 | SAT1 (0.32) | SAT1 | |
| SCHEMBL8852225 | 0.89 | TSHR (0.36) | SAT1CYP2C19MEN1GLAKMT2A | |
| SCHEMBL18236763 | 0.88 | SAT1 (0.42) | SAT1CYP2C19MEN1GLAKMT2A | |
| SCHEMBL8851216 | 0.85 | SIGMAR1 (0.30) | — | |
| SCHEMBL8851643 | 0.81 | SAT1 (0.38) | SAT1CYP2C19MEN1GLAKMT2A | |
| SCHEMBL8852205 | 0.81 | CXCR4 (0.31) | — | |
| SCHEMBL8851144 | 0.80 | GNAI3 (0.38) | SAT1CYP2C19MEN1GLAKMT2A | |
| SCHEMBL8851758 | 0.77 | PRMT3 (0.32) | — | |
| SCHEMBL8851189 | 0.77 | GRIN2B (0.31) | MEN1KMT2A | |
| SCHEMBL8851201 | 0.77 | SIGMAR1 (0.32) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |