Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 6/20 | 0.40 |
| ▸ | TYMS | P04818 | 4/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9586795 | 0.83 | TRIM58 (0.46) | IP6K1NAMPTTYMSPTGDR2 | |
| SCHEMBL9587488 | 0.82 | DHFR (0.45) | IP6K1TYMS | |
| SCHEMBL9587514 | 0.77 | CA1 (0.44) | NAMPT | |
| SCHEMBL1065778 | 0.73 | DHFR (0.59) | TYMS | |
| SCHEMBL9587910 | 0.72 | DHFR (0.47) | IP6K1TYMS | |
| SCHEMBL9587020 | 0.72 | DHFR (0.45) | IP6K1TYMS | |
| SCHEMBL9586297 | 0.71 | DHFR (0.45) | IP6K1TYMS | |
| SCHEMBL9587730 | 0.71 | DHFR (0.55) | IP6K1TYMS | |
| SCHEMBL9587180 | 0.70 | IP6K1 (0.44) | IP6K1TYMS | |
| SCHEMBL9587723 | 0.70 | DHFR (0.45) | IP6K1TYMS |
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-1993013079-A1 | ANTIFOLATE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-07-08 | — | — | WO | disclosed |