Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.49 |
| ▸ | CA2 | P00918 | 9/20 | 0.49 |
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | CA9 | Q16790 | 5/20 | 0.49 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21070849 | 1.00 | CA1 (0.49) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL382478 | 0.89 | NQO2 (0.51) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL3244228 | 0.86 | CA1 (0.54) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL2587707 | 0.86 | CA1 (0.54) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL21071014 | 0.83 | CA12 (0.43) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL25294572 | 0.83 | CA12 (0.43) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL9010034 | 0.83 | PTGS2 (0.38) | — | |
| SCHEMBL18544355 | 0.82 | CA12 (0.44) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL20506786 | 0.79 | CA2 (0.54) | CA1CA2CA12CA9IDO1 | |
| SCHEMBL5861877 | 0.78 | AOC2 (0.36) | CA1CA2CA12CA9 |
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-2023125121-A1 | TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2023-07-06 | — | — | WO | disclosed |