Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 10/20 | 0.37 |
| ▸ | XDH | P47989 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9544772 | 0.73 | TYMS (0.35) | TYMSXDHCYP1A2 | |
| SCHEMBL11262631 | 0.72 | TYMS (0.36) | TYMSXDHCYP1A2 | |
| Hydrochloric Acid SCHEMBL9545316 | 0.71 | XDH (0.33) | XDHCYP1A2 | |
| SCHEMBL9543219 | 0.71 | PNP (0.33) | TYMSXDHCYP1A2 | |
| SCHEMBL9545267 | 0.67 | XDH (0.35) | TYMSXDHCYP1A2 | |
| SCHEMBL1586365 | 0.66 | PNP (0.37) | — | |
| SCHEMBL9542413 | 0.66 | KMT2A (0.35) | TYMSXDHCYP1A2 | |
| SCHEMBL2787048 | 0.65 | HPRT1 (0.50) | — | |
| SCHEMBL150418 | 0.64 | — | — | |
| SCHEMBL8133897 | 0.61 | NOS1 (0.33) | XDHCYP1A2 |
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-1993020075-A1 | 8-SUBSTITUTED-N5-DEAZAPTERINS AS ANTIFOLATES | THE UNIVERSITY OF SYDNEY (AU) | 1993-10-14 | — | — | WO | disclosed |