Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN9 | O14815 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 6/20 | 0.38 |
| ▸ | CA12 | O43570 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | PPM1B | O75688 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1062000 | 0.82 | CAPN9 (0.37) | CAPN9MGAMGAASIMGAM2 | |
| SCHEMBL12943060 | 0.80 | ALDH1A1 (0.48) | CAPN9MGAMGAASIMGAM2 | |
| SCHEMBL1296897 | 0.80 | ALDH1A1 (0.48) | CAPN9MGAMGAASIMGAM2 | |
| SCHEMBL2705851 | 0.80 | ALDH1A1 (0.48) | CAPN9MGAMGAASIMGAM2 | |
| SCHEMBL2705849 | 0.80 | ALDH1A1 (0.48) | CAPN9MGAMGAASIMGAM2 | |
| SCHEMBL8914013 | 0.80 | ALDH1A1 (0.48) | CAPN9MGAMGAASIMGAM2 | |
| SCHEMBL29383979 | 0.79 | CA1 (0.38) | CAPN9MGAMGAASIMGAM2 | |
| SCHEMBL12683535 | 0.79 | TAS1R3 (0.47) | PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL12894241 | 0.79 | TAS1R3 (0.47) | PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL4495502 | 0.79 | JAK1 (0.46) | PPM1BPTPN1PPP1CCALDH1A1MAPT |
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-2016176636-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2016-11-03 | — | — | WO | disclosed |