Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CHAT | P28329 | 1/20 | 0.50 |
| ▸ | PYGL | P06737 | 7/20 | 0.46 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | KDM4B | O94953 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GUSB | P08236 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10973255 | 0.85 | ALDH1A1 (0.64) | ALDH1A1CHATPYGLNPFFR2KMT2A | |
| SCHEMBL10973260 | 0.85 | ALDH1A1 (0.64) | ALDH1A1CHATPYGLNPFFR2KMT2A | |
| SCHEMBL9720852 | 0.82 | CHAT (0.67) | ALDH1A1CHATPYGLNPFFR2KMT2A | |
| SCHEMBL9720849 | 0.82 | CHAT (0.67) | ALDH1A1CHATPYGLNPFFR2KMT2A | |
| SCHEMBL11464283 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CHATPYGLNPFFR2KMT2A | |
| SCHEMBL7410676 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CHATPYGLNPFFR2KMT2A | |
| SCHEMBL265106 | 0.76 | CHAT (0.55) | ALDH1A1CHATPYGLNPFFR2KMT2A | |
| SCHEMBL2091278 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CHATPYGLNPFFR2KMT2A | |
| SCHEMBL11438887 | 0.76 | CHAT (0.55) | ALDH1A1CHATPYGLNPFFR2KMT2A | |
| SCHEMBL11073038 | 0.76 | CHAT (0.55) | ALDH1A1CHATPYGLNPFFR2KMT2A |
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-2170309-B1 | 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL | HYDRA BIOSCIENCES INC (US) | 2016-10-26 | — | — | EP | disclosed |