Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 16/20 | 0.74 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.56 |
| ▸ | MTOR | P42345 | 3/20 | 0.52 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.52 |
| ▸ | RICTOR | Q6R327 | 1/20 | 0.50 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.50 |
| ▸ | MAPKAP1 | Q9BPZ7 | 1/20 | 0.50 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1776787 | 0.83 | DHFR (0.65) | DHFR | |
| SCHEMBL4610473 | 0.82 | DHFR (0.61) | DHFRPIK3CAMTORPIK3R1RICTOR | |
| Water SCHEMBL28223989 | 0.81 | DHFR (0.63) | DHFR | |
| SCHEMBL7165357 | 0.81 | DHFR (0.63) | DHFR | |
| SCHEMBL31649797 | 0.79 | DHFR (0.51) | DHFRPIK3CAMTORPIK3R1 | |
| SCHEMBL9167447 | 0.79 | DHFR (0.59) | DHFR | |
| SCHEMBL28324074 | 0.79 | DHFR (0.65) | DHFR | |
| SCHEMBL20734783 | 0.78 | DHFR (1.00) | DHFR | |
| SCHEMBL2558872 | 0.78 | DHFR (0.60) | DHFRPIK3CAMTORPIK3R1RICTOR | |
| SCHEMBL855868 | 0.77 | PIK3CA (0.68) | DHFRPIK3CAMTORPIK3R1RICTOR |
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-2019177375-A1 | 2, 4, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT | 포로노이바이오 주식회사 | 2019-09-19 | — | — | WO | disclosed |