Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 7/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28931988 | 1.00 | NPC1 (0.44) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL5804770 | 0.79 | LCK (0.47) | NPC1RAB9ASCN4ABTK | |
| SCHEMBL27959668 | 0.79 | LCK (0.47) | NPC1RAB9ASCN4ABTK | |
| SCHEMBL17239476 | 0.77 | PLAUR (0.47) | — | |
| SCHEMBL17239552 | 0.77 | PLAUR (0.47) | — | |
| SCHEMBL27934497 | 0.76 | EGFR (0.45) | HTR1ASLC6A2SLC6A4SLC6A3SCN4A | |
| SCHEMBL31302867 | 0.74 | BTK (0.64) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL21330691 | 0.74 | BTK (0.64) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL21330693 | 0.74 | BTK (0.64) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL18173591 | 0.73 | BTK (0.44) | NPC1RAB9ANFKB1SMN1; SMN2TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109310671-B | Bruton's tyrosine kinase inhibitors | 淄博百极常生制药有限公司 | 2021-08-06 | — | — | CN | disclosed |