Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.40 |
| ▸ | DRD1 | P21728 | 5/20 | 0.40 |
| ▸ | DRD4 | P21917 | 5/20 | 0.40 |
| ▸ | DRD5 | P21918 | 5/20 | 0.40 |
| ▸ | DRD3 | P35462 | 5/20 | 0.40 |
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL2775632 | 0.87 | HRH3 (0.39) | HTR1ACYP2D6SLC6A4ROCK2ESR1 | |
| SCHEMBL2776295 | 0.82 | HTR1A (0.38) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL2774034 | 0.78 | HTR1A (0.40) | DRD2DRD3HTR1ACYP2D6SLC6A4 | |
| SCHEMBL2775297 | 0.77 | CHRM5 (0.56) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL2775113 | 0.75 | HTR1A (0.42) | HTR1ACYP2D6SLC6A4ROCK2KCNH2 | |
| SCHEMBL2774320 | 0.75 | HRH3 (0.54) | HTR1ACYP2D6SLC6A4ROCK2KCNH2 | |
| SCHEMBL2774544 | 0.72 | HTR2A (0.43) | DRD2HTR1ACYP2D6SLC6A4KCNH2 | |
| SCHEMBL48022 | 0.72 | SIGMAR1 (0.39) | HTR1ACYP2D6SLC6A4ROCK2ESR1 | |
| SCHEMBL14033350 | 0.71 | HRH1 (0.46) | DRD2SLC6A4KCNH2CHRM4 | |
| SCHEMBL3946779 | 0.71 | CHRM3 (0.65) | DRD2SLC6A4KCNH2CHRM4 |
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 2 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 | disclosed |
| EP-2236509-A1 | Method for obtaining 1,3-difunctionalized pyrrolidine derivatives | Ragactives, S.L. (ES) | 2010-10-06 | — | — | EP | disclosed |