Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | HTR2C | P28335 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2774034 | 0.86 | HTR1A (0.40) | HTR2AKCNH2HTR2CCA12CA2 | |
| SCHEMBL2776295 | 0.81 | HTR1A (0.38) | HTR2AKCNH2HTR2CCA12DRD2 | |
| SCHEMBL22634126 | 0.78 | HTR2A (0.70) | HTR2AKCNH2HTR2CCA12CA2 | |
| SCHEMBL2775792 | 0.77 | CHRM5 (0.52) | HTR2AKCNH2HTR2CCA12CA2 | |
| SCHEMBL2775632 | 0.76 | HRH3 (0.39) | KCNH2CA12CA2CHRM5HTR1A | |
| SCHEMBL2775113 | 0.75 | HTR1A (0.42) | KCNH2HTR1ACYP2D6SLC6A4 | |
| SCHEMBL2774320 | 0.75 | HRH3 (0.54) | KCNH2HTR1ACYP2D6SLC6A4 | |
| SCHEMBL2773779 | 0.72 | DRD2 (0.40) | KCNH2DRD2HTR1ACYP2D6SLC6A4 | |
| SCHEMBL7022479 | 0.72 | HTR2A (0.63) | HTR2AKCNH2HTR2CCA12CA2 | |
| SCHEMBL14033350 | 0.69 | HRH1 (0.46) | HTR2AKCNH2KCNQ1CHRM5DRD2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010112488-A1 | METHOD FOR OBTAINING 1,3-DIFUNCTIONALIZED PYRROLIDINE DERIVATIVES | RAGACTIVES, S.L.U. (ES) | 2010-10-07 | — | — | WO | claimed |
| EP-2236509-A1 | Method for obtaining 1,3-difunctionalized pyrrolidine derivatives | Ragactives, S.L. (ES) | 2010-10-06 | — | — | EP | claimed |
| WO-2010112488-A1 | METHOD FOR OBTAINING 1,3-DIFUNCTIONALIZED PYRROLIDINE DERIVATIVES | RAGACTIVES, S.L.U. (ES) | 2010-10-07 | — | — | WO | disclosed |
| EP-2236509-A1 | Method for obtaining 1,3-difunctionalized pyrrolidine derivatives | Ragactives, S.L. (ES) | 2010-10-06 | — | — | EP | disclosed |