Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3801655 | 0.81 | AGXT (0.43) | AGXTDHFRCYP3A4 | |
| SCHEMBL3799319 | 0.79 | AGXT (0.46) | AGXT | |
| SCHEMBL3804816 | 0.73 | AGXT (0.55) | AGXTCYP3A4 | |
| SCHEMBL24621373 | 0.68 | AGXT (0.41) | AGXTDHFRCYP3A4ALOX15POLB | |
| SCHEMBL22912532 | 0.65 | AGXT (0.74) | AGXTCYP3A4 | |
| SCHEMBL3801571 | 0.63 | AGXT (0.45) | AGXTCYP3A4 | |
| SCHEMBL3802246 | 0.62 | AGXT (0.44) | AGXTDHFR | |
| SCHEMBL5879482 | 0.62 | CYP3A4 (0.50) | DHFRCYP3A4ALOX15POLB | |
| SCHEMBL3803205 | 0.61 | AGXT (0.42) | AGXTDHFR | |
| SCHEMBL3391874 | 0.61 | AGXT (0.42) | AGXTDHFR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010117425-A1 | CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | BIOGEN IDEC MA INC. (US) | 2010-10-14 | — | — | WO | disclosed |