Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | GSR | P00390 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 5/20 | 0.38 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24278585 | 1.00 | CA2 (0.46) | CA2GSRKDM1AKDM1BMAOA | |
| SCHEMBL14668118 | 1.00 | CA2 (0.46) | CA2GSRKDM1AKDM1BMAOA | |
| SCHEMBL27053504 | 1.00 | CA2 (0.46) | CA2GSRKDM1AKDM1BMAOA | |
| SCHEMBL25796805 | 1.00 | CA2 (0.46) | CA2GSRKDM1AKDM1BMAOA | |
| SCHEMBL1977397 | 1.00 | CA2 (0.46) | CA2GSRKDM1AKDM1BMAOA | |
| SCHEMBL27053505 | 0.83 | CA2 (0.38) | CA2GSRKDM1AKDM1BMAOA | |
| SCHEMBL25796871 | 0.83 | CA2 (0.38) | CA2GSRKDM1AKDM1BMAOA | |
| SCHEMBL25796248 | 0.80 | KDM1A (0.35) | CA2GSRKDM1AHTR2CHTR2B | |
| SCHEMBL24278729 | 0.80 | KDM1A (0.35) | CA2GSRKDM1AHTR2CHTR2B | |
| SCHEMBL12405329 | 0.78 | KDM1A (0.41) | CA2GSRKDM1AKDM1BMAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2204369-A1 | Process for preparing varenicline and intermediates for use therein | Medichem, S.A. (ES) | 2010-07-07 | — | — | EP | claimed |
| EP-2204369-A1 | Process for preparing varenicline and intermediates for use therein | Medichem, S.A. (ES) | 2010-07-07 | — | — | EP | disclosed |
| EP-2204369-A1 | Process for preparing varenicline and intermediates for use therein | Medichem, S.A. (ES) | 2010-07-07 | — | — | EP | disclosed |