Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.38 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.38 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.38 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.38 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RORA | P35398 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28703648 | 0.84 | CASP3 (0.42) | RAB9ACASP3MEN1KMT2AALDH1A1 | |
| SCHEMBL29486874 | 0.84 | CASP3 (0.42) | RAB9ACASP3MEN1KMT2AALDH1A1 | |
| SCHEMBL22918282 | 0.84 | CASP3 (0.42) | RAB9ACASP3MEN1KMT2AALDH1A1 | |
| SCHEMBL22918254 | 0.81 | ALDH1A1 (0.42) | CASP3ALDH1A1MAPT | |
| SCHEMBL22918326 | 0.81 | LOXL2 (0.43) | ABCC9ABCC8KCNJ11KCNJ8NR1H2 | |
| SCHEMBL29852271 | 0.81 | LOXL2 (0.43) | ABCC9ABCC8KCNJ11KCNJ8NR1H2 | |
| SCHEMBL28720240 | 0.79 | RAB9A (0.42) | HTR1ARAB9AGAANPC1MEN1 | |
| SCHEMBL29486879 | 0.79 | RAB9A (0.42) | HTR1ARAB9AGAANPC1MEN1 | |
| SCHEMBL28720236 | 0.79 | RAB9A (0.42) | HTR1ARAB9AGAANPC1MEN1 | |
| SCHEMBL22918346 | 0.77 | CASP3 (0.38) | RAB9ACASP3NPC1ABCC9ABCC8 |
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-2021012014-A1 | DIFLUOROHALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES, METHODS OF PREPARATION, AND USES THEREOF | PHARMAXIS LTD. (AU) | 2021-01-28 | — | — | WO | disclosed |