Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | MMP8 | P22894 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL7212428 | 0.94 | PIN1 (0.46) | PIN1MEN1NPC1KMT2APOLB | |
| SCHEMBL7208182 | 0.85 | ESR1 (0.46) | MEN1NPC1KMT2APOLBESR1 | |
| SCHEMBL7212419 | 0.84 | PIN1 (0.46) | PIN1MEN1NPC1KMT2APOLB | |
| SCHEMBL2855885 | 0.81 | ALDH1A1 (0.48) | PIN1MEN1NPC1KMT2APOLB | |
| SCHEMBL7207416 | 0.80 | PIN1 (0.49) | PIN1MEN1NPC1KMT2APOLB | |
| SCHEMBL7213734 | 0.79 | TSHR (0.47) | MEN1NPC1KMT2APOLBESR1 | |
| SCHEMBL12264169 | 0.78 | MEN1 (0.53) | PIN1MEN1NPC1KMT2APOLB | |
| SCHEMBL1626505 | 0.78 | CYP3A4 (0.48) | MEN1KMT2APOLBGAATDP1 | |
| SCHEMBL29256550 | 0.76 | MMP8 (0.52) | PIN1MEN1NPC1KMT2APOLB | |
| SCHEMBL7528311 | 0.75 | PIN1 (0.44) | PIN1MEN1NPC1KMT2APOLB |
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-6613934-B1 | Enzymatic partial hydrolysis of a diester of malonic acid | DEGUSSA AG (DE) | 2003-09-02 | — | — | US | claimed |