Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10779084 | 1.00 | ALDH1A1 (0.47) | ALDH1A1LDHAPOLBMEN1KMT2A | |
| SCHEMBL10778646 | 0.82 | SMN1; SMN2 (0.47) | ALDH1A1LDHAPOLBSMN1; SMN2MTNR1A | |
| SCHEMBL11400542 | 0.81 | ALDH1A1 (0.49) | ALDH1A1LDHAPOLBMEN1KMT2A | |
| SCHEMBL11400920 | 0.81 | ALDH1A1 (0.49) | ALDH1A1LDHAPOLBMEN1KMT2A | |
| SCHEMBL10777945 | 0.81 | KDM4E (0.54) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| Methoxymethane SCHEMBL10777820 | 0.80 | BLM (0.45) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| Methoxymethane SCHEMBL10782344 | 0.80 | BLM (0.45) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL12608328 | 0.78 | ALDH1A1 (0.43) | ALDH1A1LDHAPOLBSMN1; SMN2MTNR1A | |
| SCHEMBL11558748 | 0.76 | ALDH1A1 (0.47) | ALDH1A1LDHAPOLBMEN1KMT2A | |
| SCHEMBL12608309 | 0.75 | ALDH1A1 (0.45) | ALDH1A1LDHAPOLBMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4695588-A | DECARBOXYLASE INHIBITORS | MERCK & CO., INC. (US) | 1987-09-22 | — | — | US | disclosed |
| US-4325961-A | FLUOROMETHYLHISTIDINE, ESTERS, AND SALTS | MERCK & CO., INC. (US) | 1982-04-20 | — | — | US | disclosed |
| US-4288601-A | A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUND USING SULFUR TETRAFLUORIDE AND BORON TRIFLUORIDE IN HYDROFLUORIC ACID | MERCK & CO., INC. (US) | 1981-09-08 | — | — | US | disclosed |
| US-4215221-A | A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUNDS USING SULFUR TETRAFLUORIDE IN HYDROFLUORIC ACID AND ALUMINUM CHLORIDE | MERCK & CO., INC. (US) | 1980-07-29 | — | — | US | disclosed |