Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PGD | P52209 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1662092 | 0.82 | KMT2A (0.38) | TDP1PGDSMN1; SMN2CYP2D6SLC22A6 | |
| SCHEMBL1662090 | 0.82 | KMT2A (0.38) | TDP1PGDSMN1; SMN2CYP2D6SLC22A6 | |
| SCHEMBL15238659 | 0.78 | CYP1A2 (0.34) | TDP1CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL4106615 | 0.74 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL8917497 | 0.73 | ALDH1A1 (0.42) | TDP1SMN1; SMN2CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL17717881 | 0.71 | MMP8 (0.35) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27784487 | 0.71 | TSHR (0.39) | TDP1SMN1; SMN2CYP1A2SLC22A6 | |
| SCHEMBL8737844 | 0.71 | CA1 (0.32) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7707105 | 0.70 | MME (0.42) | TDP1SMN1; SMN2SLC22A6 | |
| SCHEMBL12421971 | 0.69 | CYP1A2 (0.31) | CYP1A2CYP2D6CYP2C19 |
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-4443624-A | Method of preparing malonic acid dialkyl esters | DYNAMIT NOBEL AG (DE) | 1984-04-17 | — | — | US | disclosed |
| US-4399300-A | Method of preparing malonic acid dialkyl esters | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1983-08-16 | — | — | US | disclosed |