Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL29486903 | 1.00 | CASP3 (0.35) | CASP3ALDH1A1TSHRMMP2MMP9 | |
| SCHEMBL28717560 | 0.84 | CASP3 (0.38) | CASP3ALDH1A1TSHRMMP2MMP9 | |
| SCHEMBL22918346 | 0.84 | CASP3 (0.38) | CASP3ALDH1A1TSHRMMP2MMP9 | |
| SCHEMBL29486893 | 0.84 | CASP3 (0.38) | CASP3ALDH1A1TSHRMMP2MMP9 | |
| SCHEMBL22918254 | 0.82 | ALDH1A1 (0.42) | CASP3ALDH1A1MMP2MMP9CA12 | |
| SCHEMBL22918257 | 0.81 | CASP3 (0.39) | CASP3TSHRMEN1KMT2ACA12 | |
| SCHEMBL29486875 | 0.81 | CASP3 (0.39) | CASP3TSHRMEN1KMT2ACA12 | |
| SCHEMBL22918282 | 0.80 | CASP3 (0.42) | CASP3ALDH1A1MMP2MMP9MEN1 | |
| SCHEMBL29486874 | 0.80 | CASP3 (0.42) | CASP3ALDH1A1MMP2MMP9MEN1 | |
| SCHEMBL28703648 | 0.80 | CASP3 (0.42) | CASP3ALDH1A1MMP2MMP9MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114286816-A | Difluoro-halogenated allylamine sulfone derivative inhibitor of lysyl oxidase, preparation method and application thereof | 法玛西斯有限公司 | 2022-04-05 | — | — | CN | disclosed |
| WO-2021012014-A1 | DIFLUOROHALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES, METHODS OF PREPARATION, AND USES THEREOF | PHARMAXIS LTD. (AU) | 2021-01-28 | — | — | WO | disclosed |