Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 8/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19257181 | 0.66 | HTR1D (0.34) | HTR1DHTR2BHTR3AHTR5ACYP2A6 | |
| SCHEMBL18902620 | 0.63 | — | — | |
| SCHEMBL2125063 | 0.61 | CYP2A6 (0.72) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL3157632 | 0.60 | CYP2A6 (0.41) | HTR1DHTR2BHTR3AHTR5ACYP2A6 | |
| SCHEMBL22734811 | 0.58 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL29136542 | 0.58 | CYP2A6 (0.59) | HTR1DHTR2BHTR3AHTR5ACYP2A6 | |
| SCHEMBL2782336 | 0.57 | CYP2A6 (0.58) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL18936327 | 0.57 | — | — | |
| SCHEMBL20286581 | 0.57 | CYP2A6 (0.34) | HTR1DCYP2A6CYP2B6CYP2E1CYP3A4 | |
| SCHEMBL27989815 | 0.57 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017133630-A1 | INHIBITOR OF BRUTON'S TYROSINE KINASE | 北京盛诺基医药科技有限公司 | 2017-08-10 | — | — | WO | disclosed |