Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL4784878 | 0.85 | NISCH (0.33) | TSHR | |
| SCHEMBL14160384 | 0.81 | KDM4E (0.45) | ADRA2CALDH1A1ADRA1AKDM4EADRA1D | |
| SCHEMBL4782058 | 0.75 | ADRA2C (0.57) | HTR2CADRA2CALDH1A1MAPTKDM4E | |
| SCHEMBL4780757 | 0.75 | HTR2C (0.36) | HTR2CADRA2CALDH1A1MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL4780986 | 0.74 | ADRA2C (0.56) | HTR2CADRA2CALDH1A1MAPTKDM4E | |
| SCHEMBL3954178 | 0.73 | ADRA2C (0.40) | ADRA2CADRA1AKDM4EADRA1DADRA1B | |
| SCHEMBL1267500 | 0.68 | ALDH1A1 (0.62) | HTR2CADRA2CALDH1A1MAPTKDM4E | |
| SCHEMBL929673 | 0.65 | TACR3 (0.37) | ALDH1A1KDM4E | |
| SCHEMBL13170398 | 0.65 | HTR2C (0.50) | HTR2CALDH1A1 | |
| SCHEMBL22776034 | 0.64 | KDM4E (0.46) | ALDH1A1ADRA1AMAPTTSHRKDM4E |
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-2008067222-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |
| WO-2008067222-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |