Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7777473 | 0.86 | CYP3A4 (0.34) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7775614 | 0.79 | — | — | |
| SCHEMBL7777378 | 0.78 | — | — | |
| SCHEMBL7777471 | 0.74 | CYP3A4 (0.33) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7777346 | 0.74 | DNM1 (0.32) | — | |
| SCHEMBL7776038 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL4540778 | 0.70 | CYP3A4 (0.36) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7777371 | 0.68 | — | — | |
| SCHEMBL12216931 | 0.65 | LPAR6 (0.33) | — | |
| SCHEMBL7491323 | 0.65 | CHRM2 (0.37) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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-0733045-B1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2001-08-16 | — | — | EP | disclosed |
| US-5880130-A | TREATMENT OF CELL-PROLIFERATION DISEASES | ZENECA LIMITED (GB) | 1999-03-09 | — | — | US | disclosed |