Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 8/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CASP2 | P42575 | 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 | |
|---|---|---|---|---|
| SCHEMBL377237 | 0.83 | EPHX2 (0.49) | PAOXADRA1AKDM4EMAPK1HIF1A | |
| SCHEMBL12962267 | 0.83 | PAOX (0.53) | PAOXADRA1AKDM4EMAPK1HIF1A | |
| SCHEMBL26748554 | 0.81 | PAOX (0.57) | PAOXADRA1AKDM4EMAPK1HIF1A | |
| SCHEMBL28444812 | 0.81 | PAOX (0.57) | PAOXADRA1AKDM4EMAPK1HIF1A | |
| SCHEMBL10287837 | 0.79 | PAOX (0.50) | PAOXADRA1AKDM4EMAPK1HIF1A | |
| SCHEMBL18256338 | 0.79 | FAAH (0.55) | MEN1KMT2AEPHX2CASP2 | |
| SCHEMBL381238 | 0.79 | EPHX2 (0.50) | ALDH1A1EPHX2 | |
| SCHEMBL13902111 | 0.78 | KDM4E (0.71) | PAOXADRA1AKDM4EMAPK1HIF1A | |
| SCHEMBL23571063 | 0.78 | PAOX (0.53) | PAOXADRA1AKDM4EMAPK1HIF1A | |
| SCHEMBL12119633 | 0.78 | PAOX (0.53) | PAOXADRA1AKDM4EMAPK1HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3060550-B1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-05-15 | — | — | EP | disclosed |
| CN-103025710-A | Process for the synthesis of isothiocyanates and derivatives thereof and uses of same | AURIGA INTERNAT | 2013-04-03 | — | — | CN | disclosed |