Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 7/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL37303 | 0.83 | CFTR (0.44) | DRD2SIGMAR1HSP90AA1CFTRGOPC | |
| SCHEMBL29390919 | 0.83 | CFTR (0.44) | DRD2SIGMAR1HSP90AA1CFTRGOPC | |
| SCHEMBL6341038 | 0.83 | CFTR (0.44) | DRD2SIGMAR1HSP90AA1CFTRGOPC | |
| SCHEMBL11314758 | 0.82 | PTPRC (0.39) | DRD2SIGMAR1MAOBHSP90AA1CFTR | |
| Ammonia Solution, Strong SCHEMBL13731210 | 0.82 | CFTR (0.42) | DRD2SIGMAR1HSP90AA1CFTRGOPC | |
| SCHEMBL11312792 | 0.81 | ALDH1A1 (0.39) | DRD2SIGMAR1MAOBCFTRGOPC | |
| SCHEMBL11324466 | 0.81 | DRD2 (0.39) | DRD2SIGMAR1MAOBHSP90AA1CFTR | |
| SCHEMBL11314949 | 0.81 | PTPN1 (0.45) | DRD2SIGMAR1HDAC4HDAC2HDAC8 | |
| SCHEMBL11313683 | 0.80 | PTPRC (0.46) | — | |
| SCHEMBL11322050 | 0.80 | MAOB (0.42) | HDAC4HDAC8MAOBHSP90AA1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4276049-A | Method for the determination of an amino or aminosulphonic acid | HOFFMANN-LA ROCHE INC. (US) | 1981-06-30 | — | — | US | disclosed |
| US-3957826-A | SPIROLACTONE PRODUCTION | HOFFMANN-LA ROCHE INC. (US) | 1976-05-18 | — | — | US | disclosed |