Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.55 |
| ▸ | HTR3A | P46098 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.53 |
| ▸ | HTR1B | P28222 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12123607 | 0.80 | SIGMAR1 (0.54) | HTR7KMT2AALDH1A1TSHRNOTUM | |
| SCHEMBL7169526 | 0.77 | NOTUM (0.56) | BCHEHTR3AKDM4EHTR3EHTR3B | |
| SCHEMBL600415 | 0.75 | NOTUM (0.61) | BCHEHTR3AHTR3EHTR3BCHRNB2 | |
| SCHEMBL30109103 | 0.75 | NOTUM (0.61) | BCHEHTR3AHTR3EHTR3BCHRNB2 | |
| SCHEMBL5635573 | 0.75 | NOTUM (0.53) | BCHEHTR3AHTR3EHTR3BCHRNB2 | |
| SCHEMBL30546903 | 0.75 | NOTUM (0.49) | HTR3AHTR3EHTR3BCHRNB2CHRNA7 | |
| SCHEMBL7162470 | 0.75 | RAB9A (0.50) | HTR3AHTR3EHTR3BCHRNB2CHRNA7 | |
| SCHEMBL4224558 | 0.75 | KDM4E (0.60) | BCHEHRH1HRH3KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL4228833 | 0.74 | KDM4E (0.58) | BCHEHRH1HRH3KDM4EALDH1A1 | |
| SCHEMBL28587036 | 0.74 | NOTUM (0.47) | HTR3AHTR3EHTR3BCHRNB2CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0629198-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | SMITHKLINE BEECHAM PLC (GB) | 1994-12-21 | — | — | EP | disclosed |
| WO-1993018027-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | SMITHKLINE BEECHAM PLC (GB) | 1993-09-16 | — | — | WO | disclosed |