Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11555106 | 0.81 | HTR3E (0.53) | HTR7HTR1AKDM4EADRB1HTR3E | |
| SCHEMBL519878 | 0.79 | HTR1A (0.72) | HTR7HTR1AKDM4EMEN1MAPT | |
| SCHEMBL2345155 | 0.79 | HTR1A (0.44) | HTR7HTR1AADRB1HTR3EHTR3B | |
| SCHEMBL2346242 | 0.79 | ADRB1 (0.60) | HTR7HTR1AADRB1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL1364478 | 0.78 | HTR1A (0.70) | HTR7HTR1AKDM4EMEN1MAPT | |
| SCHEMBL2348220 | 0.77 | ADRB1 (0.62) | HTR7HTR1AADRB1HTR3EHTR3B | |
| SCHEMBL2348204 | 0.75 | PDE4A (0.45) | HTR7HTR1AKDM4EMEN1MAPT | |
| SCHEMBL30417472 | 0.75 | PDE4A (0.45) | HTR7HTR1AKDM4EMEN1MAPT | |
| SCHEMBL2232414 | 0.75 | HTR1A (0.65) | HTR7HTR1AKDM4EMEN1MAPT | |
| SCHEMBL27906471 | 0.74 | HTR1A (0.60) | HTR7HTR1AKDM4EMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8008491-B2 | poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders | AVENTIS PHARMACEUTICALS, INC. (US) | 2011-08-30 | — | — | US | disclosed |