Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 4/20 | 0.39 |
| ▸ | MMP9 | P14780 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | 1.00 | CASP3 (0.42) | CASP3CA9CA12MMP2MMP9 | |
| SCHEMBL29486874 | 1.00 | CASP3 (0.42) | CASP3CA9CA12MMP2MMP9 | |
| SCHEMBL22918254 | 0.91 | ALDH1A1 (0.42) | CASP3CA9CA12MMP2MMP9 | |
| SCHEMBL22918257 | 0.85 | CASP3 (0.39) | CASP3CA9CA12KMT2ARAB9A | |
| SCHEMBL29486875 | 0.85 | CASP3 (0.39) | CASP3CA9CA12KMT2ARAB9A | |
| SCHEMBL22918403 | 0.84 | HTR1A (0.43) | CASP3MAPTALDH1A1KMT2ARAB9A | |
| SCHEMBL28717560 | 0.84 | CASP3 (0.38) | CASP3CA9CA12MMP2MMP9 | |
| SCHEMBL22918346 | 0.84 | CASP3 (0.38) | CASP3CA9CA12MMP2MMP9 | |
| SCHEMBL29486893 | 0.84 | CASP3 (0.38) | CASP3CA9CA12MMP2MMP9 | |
| SCHEMBL22918233 | 0.80 | CASP3 (0.35) | CASP3CA9CA12MMP2MMP9 |
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 |