Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.68 |
| ▸ | HTR6 | P50406 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 4/20 | 0.53 |
| ▸ | BACE1 | P56817 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CD4 | P01730 | 2/20 | 0.48 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10800201 | 0.90 | HTR2A (0.83) | HTR2AHTR6KCNH2HTR2CBCHE | |
| SCHEMBL10798967 | 0.88 | HTR2A (0.70) | HTR2AKCNH2HTR2CBCHEACHE | |
| SCHEMBL22634126 | 0.87 | HTR2A (0.70) | HTR2AKCNH2HTR2CACHEGAA | |
| SCHEMBL25010508 | 0.87 | HTR2A (0.68) | HTR2AKCNH2HTR2CBCHEACHE | |
| SCHEMBL20002765 | 0.87 | HTR2A (0.68) | HTR2AKCNH2HTR2CBCHEACHE | |
| Fumaric Acid SCHEMBL10797853 | 0.82 | HTR2A (0.69) | HTR2AKCNH2HTR2C | |
| Maleic Acid SCHEMBL10797845 | 0.82 | HTR2A (0.69) | HTR2AKCNH2HTR2C | |
| Maleic Acid SCHEMBL10795299 | 0.81 | HTR2A (0.60) | HTR2AKCNH2HTR2CBCHEACHE | |
| Fumaric Acid SCHEMBL10795308 | 0.81 | HTR2A (0.60) | HTR2AKCNH2HTR2CBCHEACHE | |
| SCHEMBL4924760 | 0.80 | HTR2A (0.61) | HTR2AKCNH2HTR2CBCHEACHE |
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-2009153649-A1 | PROCESS FOR PREPARING 3-SUBSTITUTED PYRROLIDINE COMPOUNDS | MEDICHEM, S.A. (ES) | 2009-12-23 | — | — | WO | disclosed |