Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.32 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL28713837 | 1.00 | CASP3 (0.37) | CASP3KMT2AMEN1CA12CA9 | |
| SCHEMBL29486894 | 1.00 | CASP3 (0.37) | CASP3KMT2AMEN1CA12CA9 | |
| SCHEMBL29486821 | 0.88 | POLB (0.38) | CASP3KMT2AMEN1CA12CA9 | |
| SCHEMBL28716143 | 0.88 | POLB (0.38) | CASP3KMT2AMEN1CA12CA9 | |
| SCHEMBL22918284 | 0.88 | POLB (0.38) | CASP3KMT2AMEN1CA12CA9 | |
| SCHEMBL22918281 | 0.83 | CASP3 (0.42) | CASP3KMT2AMEN1CA12CA9 | |
| SCHEMBL29486855 | 0.83 | CASP3 (0.42) | CASP3KMT2AMEN1CA12CA9 | |
| SCHEMBL28703606 | 0.83 | CASP3 (0.42) | CASP3KMT2AMEN1CA12CA9 | |
| SCHEMBL22918291 | 0.80 | CASP3 (0.33) | CASP3KMT2AMEN1CA12CA9 | |
| SCHEMBL28712293 | 0.80 | CASP3 (0.33) | CASP3KMT2AMEN1CA12CA9 |
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 |