Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL9397441 | 0.87 | — | — | |
| Triaziquone SCHEMBL11793180 | 0.85 | TP53 (0.36) | TP53SMN1; SMN2MAPTSTAT3HTT | |
| Tetrabuthylammonium SCHEMBL22034328 | 0.84 | — | — | |
| Octadecylamine SCHEMBL11308593 | 0.84 | DNM1 (0.38) | TP53SMN1; SMN2MAPTSTAT3HTT | |
| Triaziquone SCHEMBL21292190 | 0.82 | TP53 (0.35) | TP53SMN1; SMN2MAPTSTAT3HTT | |
| Triaziquone SCHEMBL21358774 | 0.82 | MAPT (0.43) | TP53SMN1; SMN2MAPTSTAT3HTT | |
| Triaziquone SCHEMBL20502564 | 0.82 | TP53 (0.36) | TP53SMN1; SMN2MAPTSTAT3HTT | |
| Triaziquone SCHEMBL20981386 | 0.81 | MAPT (0.40) | TP53SMN1; SMN2MAPTSTAT3HTT | |
| Triaziquone SCHEMBL21899780 | 0.80 | MAPT (0.35) | TP53SMN1; SMN2MAPTSTAT3HTT | |
| Triaziquone SCHEMBL20544204 | 0.80 | PPARG (0.46) | ALDH1A1CYP3A4ALOX15TSHRHSD17B10 |
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-1994029331-A1 | NICOTINAMIDE RIBONUCLEOTIDE ISOSTERS, ISOSTERIC NAD ANALOGUES. THEIR SYNTHESES AND USE IN TREATMENTS OF ALCOHOLISM AND NEOPLASTIC DISEASES | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1994-12-22 | — | — | WO | claimed |