Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CPA3 | P15088 | 1/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3785507 | 0.88 | FOLH1 (0.48) | CPA3FOLH1CYP2C19CYP1A2TSHR | |
| SCHEMBL34784 | 0.88 | FOLH1 (0.48) | CPA3FOLH1CYP2C19CYP1A2TSHR | |
| SCHEMBL11245351 | 0.75 | FOLH1 (0.42) | CPA3FOLH1CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL3185210 | 0.71 | CYP2C19 (0.40) | CHRM2CHRM1CHRM3MAPTMEN1 | |
| SCHEMBL17913818 | 0.71 | FOLH1 (0.49) | CPA3FOLH1 | |
| SCHEMBL1160457 | 0.71 | FOLH1 (0.49) | CPA3FOLH1 | |
| SCHEMBL30278728 | 0.71 | LMNA (0.40) | CHRM2CHRM1CHRM3CHRM4CHRM5 | |
| SCHEMBL28469183 | 0.70 | HSPD1 (0.49) | MAPTMEN1KMT2AALDH1A1BLM | |
| SCHEMBL30081056 | 0.70 | HSPD1 (0.49) | MAPTMEN1KMT2AALDH1A1BLM | |
| SCHEMBL28779828 | 0.67 | KIF11 (0.43) | MEN1KMT2APOLBALDH1A1CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0013261-B1 | GUAIACOL ESTERS OF ALPHA- AND BETA-MERCAPTOPROPIONYLALANINE AND ALPHA- AND BETA-MERCAPTOPROPIONYLGLYCINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1982-12-01 | — | — | EP | disclosed |
| US-4299842-A | TREATMENT OF RESPIRATORY SYSTEM DISORDERS, NUCOLYTIC AGENTS | CAVAZZA CLAUDIO | 1981-11-10 | — | — | US | disclosed |
| EP-0013261-A1 | Guaiacol esters of alpha- and beta-mercaptopropionylalanine and alpha- and beta-mercaptopropionylglycine, process for their preparation and pharmaceutical compositions containing same | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1980-07-09 | — | — | EP | disclosed |