Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 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 | |
|---|---|---|---|---|
| SCHEMBL27944767 | 0.78 | PTK2 (0.60) | NCF1L3MBTL1PTK2MEN1KMT2A | |
| SCHEMBL28839437 | 0.76 | CFTR (0.53) | MEN1KMT2AKDM4ESMN1; SMN2HDAC1 | |
| SCHEMBL305634 | 0.74 | TSHR (0.50) | SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL9279566 | 0.71 | NCF1 (0.63) | NCF1L3MBTL1PTK2MEN1KMT2A | |
| SCHEMBL16484770 | 0.69 | NCF1 (0.59) | NCF1PTK2KMT2AKDM4ENPC1 | |
| SCHEMBL12014904 | 0.67 | NCF1 (0.68) | NCF1PTK2MEN1KMT2AKDM4E | |
| SCHEMBL4268344 | 0.67 | NCF1 (0.62) | NCF1L3MBTL1PTK2LMNACYP1A2 | |
| SCHEMBL13371376 | 0.67 | NCF1 (0.62) | NCF1PTK2KDM4ESMN1; SMN2HDAC1 | |
| SCHEMBL4783071 | 0.67 | NCF1 (0.61) | NCF1PTK2MEN1KMT2AKDM4E | |
| SCHEMBL2096018 | 0.67 | HTR2A (0.40) | MEN1KMT2ALMNA |
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-106083716-B | A kind of preparation method of 3- aryl isoquinolines compound | 温州医科大学仁济学院 | 2018-10-30 | — | — | CN | disclosed |
| CN-106083716-A | A kind of preparation method of 3 aryl isoquinolines compounds | 温州医科大学仁济学院 | 2016-11-09 | — | — | CN | disclosed |