Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | LIG1 | P18858 | 1/20 | 0.34 |
| ▸ | GRK2 | P25098 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28423138 | 0.99 | CA2 (0.38) | CA2CA12CA9CA1CA7 | |
| SCHEMBL28426546 | 0.83 | CCR5 (0.44) | CA2CA12CA9CA1CA7 | |
| SCHEMBL28420481 | 0.79 | CHIT1 (0.39) | CA2CA9CA1KCNH2CCR5 | |
| SCHEMBL28173780 | 0.78 | ALDH1A1 (0.40) | CA2CA12CA9CA1CA7 | |
| SCHEMBL28420784 | 0.78 | GPR119 (0.52) | CA2CA12CA1CA7CA4 | |
| SCHEMBL17853443 | 0.76 | CA2 (0.44) | CA2CA12CA9CA1CA7 | |
| Hydrochloric Acid SCHEMBL17838889 | 0.76 | CA2 (0.43) | CA2CA12CA9CA1CA7 | |
| SCHEMBL8851277 | 0.66 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3KCNH2NOS3 | |
| SCHEMBL28173779 | 0.65 | CA2 (0.44) | CA2CA12CA9CA1CA7 | |
| SCHEMBL3561029 | 0.65 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3KCNH2PSEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107428720-A | Substituted aminotriazole(ATA) as acidic mammalian chitinase inhibitor | 昂科艾伦迪治疗法股份公司 | 2017-12-01 | — | — | CN | disclosed |