Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 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 SCHEMBL4784942 | 0.98 | ADRA2C (0.71) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL1267124 | 0.91 | ALDH1A1 (0.73) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL14160426 | 0.86 | ALDH1A1 (0.81) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL3953375 | 0.85 | ADRA2C (0.68) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| Hydrochloric Acid SCHEMBL4780681 | 0.84 | ALDH1A1 (0.79) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL3949058 | 0.84 | ADRA2C (0.67) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL4782496 | 0.84 | ADRA2C (0.60) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL3953566 | 0.81 | ADRA2C (0.64) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL4782058 | 0.79 | ADRA2C (0.57) | ADRA2CALDH1A1KDM4EMAPTTP53 | |
| SCHEMBL2753864 | 0.78 | ALDH1A1 (0.63) | ADRA2CALDH1A1KDM4EMAPTTP53 |
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 |