Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28587257 | 0.74 | CYP1A2 (0.36) | CYP1A2MAPK1SMN1; SMN2 | |
| SCHEMBL23850269 | 0.65 | ALDH1A1 (0.38) | CYP1A2MAPK1SMN1; SMN2 | |
| SCHEMBL8194990 | 0.64 | F2 (0.34) | CYP1A2MAPK1SMN1; SMN2 | |
| SCHEMBL6544382 | 0.64 | CHRM2 (0.34) | — | |
| SCHEMBL8297553 | 0.64 | MAPT (0.32) | — | |
| SCHEMBL6632132 | 0.63 | ALDH1A1 (0.36) | CYP1A2MAPK1SMN1; SMN2 | |
| SCHEMBL867976 | 0.62 | TDP1 (0.41) | CYP1A2 | |
| SCHEMBL27970868 | 0.62 | — | — | |
| SCHEMBL156073 | 0.62 | TDP1 (0.41) | CYP1A2 | |
| Cyclopropane SCHEMBL22572409 | 0.62 | FFAR3 (0.42) | — |
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 |