Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 7/20 | 0.36 |
| ▸ | CA1 | P00915 | 7/20 | 0.36 |
| ▸ | CA2 | P00918 | 7/20 | 0.36 |
| ▸ | CA9 | Q16790 | 7/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL17528074 | 1.00 | TSHR (0.44) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL19020471 | 1.00 | TSHR (0.44) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL12213107 | 0.91 | TSHR (0.35) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL22697575 | 0.85 | ALDH1A1 (0.33) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL22697614 | 0.85 | TSHR (0.33) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL15292145 | 0.84 | TSHR (0.44) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL19035513 | 0.83 | NR3C1 (0.32) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL25590030 | 0.83 | KDM4E (0.32) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL21091444 | 0.83 | CA12 (0.35) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL20623684 | 0.83 | CA12 (0.35) | TSHRCA12CA1CA2CA9 |
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-2024049929-A2 | PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED | PANNEX THERAPEUTICS INC. (US) | 2024-03-07 | — | — | WO | disclosed |