Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CAD | P27708 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL14066055 | 1.00 | KMT2A (0.43) | KMT2APOLBL3MBTL1SMN1; SMN2NOD1 | |
| SCHEMBL14066054 | 0.83 | ALDH1A1 (0.36) | SMN1; SMN2NOD1ALDH1A1MAPT | |
| SCHEMBL16346757 | 0.76 | CAD (0.39) | KMT2APOLBL3MBTL1SMN1; SMN2CYP1A2 | |
| SCHEMBL23693345 | 0.73 | MMP8 (0.41) | KMT2APOLBL3MBTL1SMN1; SMN2CYP1A2 | |
| SCHEMBL20166210 | 0.73 | MMP8 (0.41) | KMT2APOLBL3MBTL1SMN1; SMN2CYP1A2 | |
| SCHEMBL16376523 | 0.73 | CYP1A2 (0.58) | SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL18455652 | 0.72 | SMN1; SMN2 (0.50) | L3MBTL1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL26985957 | 0.69 | KMT2A (0.54) | KMT2APOLBL3MBTL1NOD1CYP1A2 | |
| SCHEMBL15083151 | 0.69 | CASP1 (0.37) | SMN1; SMN2 | |
| SCHEMBL16288691 | 0.69 | CASP1 (0.37) | SMN1; SMN2 |
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-7429674-B2 | Process for preparing fluoroleucine alkyl esters | MERCK & CO. INC.. (US) | 2008-09-30 | — | — | US | disclosed |
| US-7429674-B2 | Process for preparing fluoroleucine alkyl esters | MERCK & CO. INC.. (US) | 2008-09-30 | — | — | US | disclosed |