Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL19564578 | 0.81 | MAPK1 (0.43) | HTR2AMAOBMEN1MAPK1SMN1; SMN2 | |
| SCHEMBL29674233 | 0.81 | HTR2A (0.47) | HTR2AKDM1AMAOBTSHRTDP1 | |
| SCHEMBL22541598 | 0.81 | HTR2A (0.47) | HTR2AKDM1AMAOBTSHRTDP1 | |
| SCHEMBL23699186 | 0.77 | GAA (0.41) | MEN1 | |
| SCHEMBL17768498 | 0.77 | SIGMAR1 (0.43) | HTR2AMEN1 | |
| SCHEMBL19564579 | 0.77 | CYP2D6 (0.44) | HTR2ATNKSTNKS2MEN1 | |
| SCHEMBL14522963 | 0.76 | HTR2A (0.51) | HTR2AKDM1AMAOBTSHRTDP1 | |
| SCHEMBL21130823 | 0.74 | SIGMAR1 (0.52) | MEN1 | |
| SCHEMBL17779017 | 0.74 | CHRM2 (0.46) | MEN1 | |
| SCHEMBL17768465 | 0.74 | SIGMAR1 (0.62) | HTR2ATSHRMEN1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3221314-B1 | SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS SA (ES) | 2019-07-03 | — | — | EP | disclosed |