Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 6/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TK1 | P04183 | 1/20 | 0.30 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9543827 | 0.82 | DHFR (0.34) | HPRT1MEN1KMT2ADHFR | |
| Hydrochloric Acid SCHEMBL9544734 | 0.79 | DHFR (0.35) | HPRT1DHFR | |
| SCHEMBL9542610 | 0.76 | NPSR1 (0.43) | NPSR1HPRT1MEN1KMT2AHIF1A | |
| Hydrochloric Acid SCHEMBL9543633 | 0.75 | NPSR1 (0.42) | NPSR1HPRT1MEN1KMT2AHIF1A | |
| SCHEMBL9543219 | 0.75 | PNP (0.33) | MEN1KMT2AHIF1ADHFR | |
| SCHEMBL9278710 | 0.72 | HPRT1 (0.54) | NPSR1HPRT1MEN1KMT2ATSHR | |
| SCHEMBL9543196 | 0.71 | KDM4E (0.35) | HPRT1MEN1KMT2AALDH1A1HIF1A | |
| SCHEMBL21163153 | 0.69 | NPSR1 (0.40) | NPSR1HPRT1MEN1KMT2AALDH1A1 | |
| SCHEMBL676634 | 0.63 | KDM4E (0.43) | MEN1KMT2AHIF1ADHFR | |
| SCHEMBL11774904 | 0.62 | — | — |
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 |