Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.34 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.32 |
| ▸ | TYMS | P04818 | 4/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | PNP | P00491 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 SCHEMBL9544734 | 0.88 | DHFR (0.35) | DHFRHPRT1TYMSBACE1PNP | |
| SCHEMBL9544073 | 0.82 | NPSR1 (0.37) | DHFRHPRT1MEN1KMT2A | |
| SCHEMBL9543219 | 0.81 | PNP (0.33) | DHFRTYMSPNPMEN1KMT2A | |
| SCHEMBL9543196 | 0.77 | KDM4E (0.35) | DHFRHPRT1TYMSPNPMEN1 | |
| Hydrochloric Acid SCHEMBL9543271 | 0.74 | DHFR (0.37) | DHFRHPRT1TYMSPNPMEN1 | |
| SCHEMBL9544092 | 0.74 | TYMS (0.34) | HPRT1TYMSBACE1MEN1KMT2A | |
| SCHEMBL3743947 | 0.69 | HPRT1 (0.56) | HPRT1KMT2A | |
| SCHEMBL9544929 | 0.68 | TYMS (0.34) | DHFRTYMSMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9544004 | 0.67 | DHFR (0.38) | DHFRHPRT1PNPMEN1KMT2A | |
| SCHEMBL19996269 | 0.66 | — | — |
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 |