Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4780986 | 0.98 | ADRA2C (0.56) | ADRA2CALDH1A1KDM4EHTR2CMAPT | |
| SCHEMBL1267500 | 0.92 | ALDH1A1 (0.62) | ADRA2CALDH1A1KDM4EHTR2CMAPT | |
| SCHEMBL14160426 | 0.80 | ALDH1A1 (0.81) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL4782055 | 0.79 | ADRA2C (0.72) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL4780757 | 0.78 | HTR2C (0.36) | ADRA2CALDH1A1KDM4EHTR2CMAPT | |
| Hydrochloric Acid SCHEMBL4780681 | 0.78 | ALDH1A1 (0.79) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| Hydrochloric Acid SCHEMBL4784942 | 0.78 | ADRA2C (0.71) | ADRA2CALDH1A1KDM4EHTR2CMAPT | |
| SCHEMBL4782496 | 0.75 | ADRA2C (0.60) | ADRA2CALDH1A1KDM4EHTR2CMAPT | |
| SCHEMBL4801731 | 0.75 | HTR2C (0.36) | ADRA2CALDH1A1KDM4EHTR2CMAPT | |
| SCHEMBL1266401 | 0.74 | KDM4E (0.62) | ADRA2CALDH1A1KDM4EHTR2CMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008067222-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |