Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.44 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13741598 | 0.77 | ADORA2A (0.45) | ALDH1A1ADORA2AADORA2BGAAGFER | |
| SCHEMBL33899 | 0.77 | GAA (0.42) | ALDH1A1ADORA2AADORA2BGAAGFER | |
| SCHEMBL13180563 | 0.77 | GLS (0.61) | ALDH1A1ADORA2AADORA2BGLSGAA | |
| Hydrochloric Acid SCHEMBL4669106 | 0.76 | GAA (0.41) | ALDH1A1ADORA2AADORA2BGAAGFER | |
| SCHEMBL21737655 | 0.74 | ADORA2A (0.44) | ALDH1A1ADORA2AADORA2BGLSGAA | |
| SCHEMBL13683169 | 0.74 | IKBKB (0.46) | ALDH1A1ADORA2AADORA2BGAAPOLB | |
| SCHEMBL27845868 | 0.74 | ADORA2A (0.44) | ALDH1A1ADORA2AADORA2BGLSGAA | |
| SCHEMBL20528971 | 0.74 | ADORA2A (0.39) | ADORA2AADORA2BGAAGFERPOLB | |
| SCHEMBL692596 | 0.71 | GAA (0.34) | ALDH1A1GAAGFERPOLBKMT2A | |
| SCHEMBL4352928 | 0.70 | — | — |
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 |