Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15716268 | 0.73 | MTOR (0.38) | ALDH1A1GAALMNAMAPTKDM4E | |
| SCHEMBL25753038 | 0.72 | BRD4 (0.39) | LMNAMAPTKCNH2AKT1AKT2 | |
| SCHEMBL14996558 | 0.72 | ALDH1A1 (0.52) | ALDH1A1GAAHPGDTHRBGFER | |
| SCHEMBL14996629 | 0.72 | NR1H2 (0.44) | ALDH1A1GAAHPGDTHRBGFER | |
| SCHEMBL16200060 | 0.72 | THRB (0.52) | ALDH1A1GAAHPGDTHRBNPSR1 | |
| SCHEMBL16200055 | 0.70 | MAPK14 (0.43) | ALDH1A1GAAHPGDTHRBGFER | |
| SCHEMBL14996631 | 0.70 | MEN1 (0.43) | ALDH1A1GAAHPGDTHRBGFER | |
| SCHEMBL13184419 | 0.70 | PTGS2 (0.39) | ALDH1A1GAAHPGDTHRBGFER | |
| SCHEMBL16200199 | 0.70 | MEN1 (0.43) | ALDH1A1GAAHPGDTHRBGFER | |
| SCHEMBL21241065 | 0.69 | PIM1 (0.42) | ALDH1A1LMNAAPOBEC3GKDM4EKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |