Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | WNT1 | P04628 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL28840987 | 0.78 | CYP1A2 (0.41) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL17560336 | 0.75 | CHRNB2 (0.47) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL1655323 | 0.75 | ADRA2C (0.42) | WNT1GSK3BDYRK1ASLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL15550523 | 0.74 | ADRA2C (0.41) | WNT1GSK3BDYRK1ASLC6A2SLC6A3 | |
| SCHEMBL30275082 | 0.73 | SLC6A2 (0.43) | SLC6A2SLC6A3SLC6A4ADRB2HTR1A | |
| SCHEMBL2921129 | 0.73 | SLC6A2 (0.43) | SLC6A2SLC6A3SLC6A4ADRB2HTR1A | |
| SCHEMBL27609653 | 0.73 | SLC6A2 (0.38) | WNT1GSK3BDYRK1ASLC6A2SLC6A3 | |
| SCHEMBL2444480 | 0.73 | ALDH1A1 (0.43) | CA2CHKAWNT1GSK3BDYRK1A | |
| SCHEMBL28213419 | 0.72 | CHRNB2 (0.45) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL28019673 | 0.72 | SSTR4 (0.39) | WNT1GSK3BDYRK1ASLC6A2SLC6A3 |
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-106397418-A | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | ABBVIE公司 | 2017-02-15 | — | — | CN | disclosed |