Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RGS12 | O14924 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 2/20 | 0.35 |
| ▸ | PNP | P00491 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
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 SCHEMBL9544004 | 0.80 | DHFR (0.38) | KMT2AMAPTKDM4EMEN1RGS12 | |
| Hydrochloric Acid SCHEMBL9543271 | 0.79 | DHFR (0.37) | KMT2AMAPTKDM4EMEN1RGS12 | |
| SCHEMBL16672134 | 0.77 | HSD17B10 (0.59) | KMT2AMAPTKDM4EMEN1RGS12 | |
| SCHEMBL9542610 | 0.76 | NPSR1 (0.43) | KMT2AMAPTKDM4EMEN1RGS12 | |
| Hydrochloric Acid SCHEMBL9543633 | 0.75 | NPSR1 (0.42) | KMT2AMAPTKDM4EMEN1RGS12 | |
| SCHEMBL9543219 | 0.73 | PNP (0.33) | KMT2AMAPTKDM4EMEN1RGS12 | |
| SCHEMBL9545267 | 0.72 | XDH (0.35) | KDM4EDHFRPNPNPSR1TYMS | |
| Hydrochloric Acid SCHEMBL9544772 | 0.72 | TYMS (0.35) | KMT2AMAPTKDM4EBLMPNP | |
| SCHEMBL7362054 | 0.69 | CASP7 (0.58) | KMT2AMAPTKDM4EMEN1RGS12 | |
| SCHEMBL1586365 | 0.68 | PNP (0.37) | MAPTHIF1APNPHPRT1NOS1 |
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 |