Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA6 | P23280 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5378351 | 0.86 | NPC1 (0.33) | CA6CA3CA5ACA9CA14 | |
| SCHEMBL5378345 | 0.86 | NPC1 (0.33) | CA6CA3CA5ACA9CA14 | |
| Ammonia Solution, Strong SCHEMBL2208350 | 0.77 | — | — | |
| Water SCHEMBL28759228 | 0.77 | — | — | |
| SCHEMBL12693416 | 0.75 | METAP1 (0.39) | BRAFNOTUMPARP1ADRA2AACHE | |
| SCHEMBL30043019 | 0.73 | HSD17B1 (0.48) | ESR1ESR2 | |
| SCHEMBL29187375 | 0.73 | HSD17B1 (0.48) | ESR1ESR2 | |
| SCHEMBL6907006 | 0.73 | CA1 (0.44) | CA6CA1CA2CA4PARP1 | |
| SCHEMBL29392481 | 0.72 | CYP1A2 (0.43) | CYP1A2 | |
| SCHEMBL5190200 | 0.72 | CYP1A2 (0.43) | CYP1A2 |
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-116096712-A | Novel compounds | NRG治疗有限公司 | 2023-05-09 | — | — | CN | disclosed |