Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.63 |
| ▸ | GAA | P10253 | 5/20 | 0.63 |
| ▸ | HTT | P42858 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.41 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6812308 | 0.86 | ALDH1A1 (0.48) | ALDH1A1GAAHTTLMNAGFER | |
| SCHEMBL17547275 | 0.85 | KEAP1 (0.46) | ALDH1A1GAAHTTLMNAMAPT | |
| SCHEMBL18088618 | 0.83 | KEAP1 (0.44) | ALDH1A1GAAHTTLMNAMAPT | |
| SCHEMBL14113099 | 0.79 | PPOX (0.42) | ALDH1A1GAAHTTLMNAGFER | |
| SCHEMBL1688445 | 0.78 | MAPT (0.44) | ALDH1A1GAAHTTLMNAMAPT | |
| SCHEMBL17174221 | 0.78 | ALDH1A1 (1.00) | ALDH1A1GAAHTTLMNAGFER | |
| SCHEMBL14561878 | 0.76 | ALDH1A1 (0.47) | ALDH1A1GAAHTTLMNAGFER | |
| SCHEMBL13963210 | 0.75 | MAPT (0.47) | ALDH1A1GAAHTTLMNAMAPT | |
| SCHEMBL2306775 | 0.75 | PIK3CD (0.43) | ALDH1A1GAAHTTLMNAMAPT | |
| SCHEMBL4443713 | 0.74 | MAPT (0.39) | ALDH1A1GAAHTTLMNAMAPT |
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 |