Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CHIT1 | Q13231 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26220105 | 1.00 | TRPA1 (0.42) | TRPA1CHIT1KCNH2DRD2LTA4H | |
| SCHEMBL22901884 | 1.00 | TRPA1 (0.42) | TRPA1CHIT1KCNH2DRD2LTA4H | |
| Hydrochloric Acid SCHEMBL28702285 | 0.99 | TRPA1 (0.41) | TRPA1CHIT1KCNH2DRD2LTA4H | |
| SCHEMBL18589425 | 0.85 | TRPA1 (0.41) | TRPA1CHIT1KCNH2DRD2ALDH1A1 | |
| SCHEMBL18609377 | 0.85 | TRPA1 (0.41) | TRPA1CHIT1KCNH2DRD2ALDH1A1 | |
| SCHEMBL25384636 | 0.80 | LTA4H (0.36) | TRPA1LTA4HALDH1A1POLB | |
| SCHEMBL26220048 | 0.80 | LTA4H (0.36) | TRPA1LTA4HALDH1A1POLB | |
| Trifluoroacetic Acid SCHEMBL18577478 | 0.75 | TRPA1 (0.42) | TRPA1CHIT1DRD2ALDH1A1 | |
| SCHEMBL21565752 | 0.70 | POLB (0.47) | LTA4HALDH1A1POLB | |
| SCHEMBL1443794 | 0.69 | POLB (0.61) | LTA4HPOLBCHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021009209-A1 | SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS | Oncoarendi Therapeutics S.A. (PL) | 2021-01-21 | — | — | WO | disclosed |