Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL9557434 | 0.94 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL20367468 | 0.92 | CHRM2 (0.39) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL4445808 | 0.86 | — | — | |
| SCHEMBL21766160 | 0.86 | — | — | |
| SCHEMBL8084940 | 0.84 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL8084905 | 0.84 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL4578897 | 0.84 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL10197453 | 0.81 | — | — | |
| SCHEMBL25336760 | 0.78 | CHRM2 (0.44) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL4667952 | 0.78 | CHRM2 (0.44) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-5962499-A | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |