Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7659771 | 1.00 | GRM1 (0.43) | GRM1NR3C1ARALDH1A1TSHR | |
| SCHEMBL7659766 | 1.00 | GRM1 (0.43) | GRM1NR3C1ARALDH1A1TSHR | |
| SCHEMBL15960853 | 0.80 | GRM1 (0.47) | GRM1NR3C1ARMAOAMAOB | |
| SCHEMBL7664444 | 0.80 | GRM1 (0.64) | GRM1MAOAMAOB | |
| SCHEMBL7664441 | 0.80 | GRM1 (0.64) | GRM1MAOAMAOB | |
| SCHEMBL5228859 | 0.78 | GRM1 (0.41) | GRM1NR3C1ARMAOB | |
| SCHEMBL21726285 | 0.75 | SLC6A2 (0.40) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL3518004 | 0.75 | SLC6A2 (0.40) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL18033721 | 0.75 | SLC6A2 (0.40) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL13253824 | 0.75 | SLC6A2 (0.40) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6376539-B1 | ANTIISCHEMIC AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-23 | — | — | US | disclosed |