Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11237218 | 0.85 | MAPT (0.40) | GSK3AGSK3BELANEPOLBMAPT | |
| SCHEMBL11244802 | 0.85 | GSK3A (0.42) | GSK3AGSK3BELANEPOLBMAPT | |
| SCHEMBL11240263 | 0.84 | GSK3A (0.41) | GSK3AGSK3BELANEPOLBMAPT | |
| SCHEMBL11243422 | 0.82 | GSK3A (0.50) | GSK3AGSK3BELANEPOLBMAPT | |
| SCHEMBL11240497 | 0.74 | GSK3A (0.43) | GSK3AGSK3BELANEPOLBMAPT | |
| SCHEMBL31442507 | 0.73 | GSK3A (0.51) | GSK3AGSK3BELANEPOLBMAPT | |
| SCHEMBL11852421 | 0.71 | ELANE (0.46) | GSK3AGSK3BELANEPOLBMAPT | |
| SCHEMBL11617467 | 0.70 | GSK3A (0.37) | GSK3AGSK3BELANEPOLBALDH1A1 | |
| SCHEMBL9623389 | 0.67 | POLB (0.56) | GSK3AGSK3BELANEPOLBMAPT | |
| SCHEMBL11618507 | 0.66 | GSK3A (0.39) | GSK3AGSK3BPOLBKDM4EHPGD |
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-4326878-A | Herbicidal and plant-growth-regulating 1,2,4-trisubstituted-1,2,4-triazolidin-3,5-dithiones | CHEVRON RESEARCH (US) | 1982-04-27 | — | — | US | disclosed |