Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1083049 | 0.98 | CA2 (0.38) | CA2CA12CA1CA9CHKA | |
| SCHEMBL30598789 | 0.98 | CA2 (0.38) | CA2CA12CA1CA9CHKA | |
| Hydrochloric Acid SCHEMBL27687817 | 0.95 | CA2 (0.37) | CA2CA12CA1CA9CHKA | |
| SCHEMBL21385233 | 0.95 | CHRNB2 (0.39) | CA2CA12CA1CA9CHKA | |
| Hydrochloric Acid SCHEMBL28060532 | 0.95 | CA2 (0.37) | CA2CA12CA1CA9CHKA | |
| Water SCHEMBL23356455 | 0.95 | CA2 (0.37) | CA2CA12CA1CA9CHKA | |
| SCHEMBL30994809 | 0.95 | CHRNB2 (0.39) | CA2CA12CA1CA9CHKA | |
| Propionic Acid SCHEMBL28044756 | 0.86 | FFAR3 (0.37) | CA2CA12CA1CA9CHKA | |
| Dimethylformamide SCHEMBL27836612 | 0.85 | TSHR (0.32) | CA2CA12CA1CA9SIGMAR1 | |
| SCHEMBL253645 | 0.84 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118302203-A | Methods of treating cancer | 融合制药公司 | 2024-07-05 | — | — | CN | claimed |
| CN-110035996-B | Novel highly relaxant gadolinium chelates for magnetic resonance imaging | 拜耳医药股份公司 | 2022-08-09 | — | — | CN | claimed |
| CN-110035996-B | Novel highly relaxant gadolinium chelates for magnetic resonance imaging | 拜耳医药股份公司 | 2022-08-09 | — | — | CN | disclosed |
| EP-1602649-B1 | Process for the preparation of monofunctionalized 1,4,7,10-tetraazacyclododecane | BRACCO SPA (IT) | 2010-08-18 | — | — | EP | disclosed |