Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.41 |
| ▸ | TNF | P01375 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | EIF4EBP1 | Q13541 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22209598 | 0.82 | RAB9A (0.44) | TRPA1TNFTP53ALDH1A1NPC1 | |
| SCHEMBL29325687 | 0.77 | TRPA1 (0.45) | TRPA1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21895452 | 0.76 | L3MBTL1 (0.38) | TRPA1KDM4E | |
| SCHEMBL23679572 | 0.76 | TRPA1 (0.35) | TRPA1ALDH1A1KDM4E | |
| SCHEMBL21363499 | 0.70 | ALDH1A1 (0.37) | TRPA1ALDH1A1LMNAKDM4E | |
| SCHEMBL22477680 | 0.66 | TRPA1 (0.32) | TRPA1ALDH1A1KDM4E | |
| SCHEMBL30979186 | 0.59 | PARP1 (0.46) | ALDH1A1HPGDRAB9ALMNASMN1; SMN2 | |
| SCHEMBL21808624 | 0.59 | PARP1 (0.46) | ALDH1A1HPGDRAB9ALMNASMN1; SMN2 | |
| SCHEMBL23346896 | 0.58 | DYRK1A (0.44) | ALDH1A1KDM4E | |
| SCHEMBL10244909 | 0.57 | PDE4A (0.49) | TRPA1ALDH1A1NPC1RAB9ANFKB1 |
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-3854799-A1 | CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2021-07-28 | — | — | EP | disclosed |