Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GNPAT | O15228 | 1/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.33 |
| ▸ | CRAT | P43155 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL4629978 | 0.80 | ALDH1A1 (0.42) | SMN1; SMN2ALOX15MAPTKDM4ETHRB | |
| SCHEMBL3783821 | 0.80 | ALDH1A1 (0.42) | SMN1; SMN2ALOX15MAPTKDM4ETHRB | |
| SCHEMBL4629975 | 0.80 | ALDH1A1 (0.42) | SMN1; SMN2ALOX15MAPTKDM4ETHRB | |
| SCHEMBL11230702 | 0.79 | PLA2G2C (0.40) | SMN1; SMN2ALOX15MAPTKDM4ETHRB | |
| SCHEMBL11195718 | 0.76 | PAX8 (0.42) | CTRB1 | |
| SCHEMBL17234554 | 0.75 | GABRR1 (0.31) | SLC22A6TDP1 | |
| SCHEMBL18553100 | 0.75 | GABRR1 (0.31) | SLC22A6TDP1 | |
| SCHEMBL17234388 | 0.75 | GABRR1 (0.31) | SLC22A6TDP1 | |
| SCHEMBL11198123 | 0.74 | CRAT (0.40) | SMN1; SMN2ALOX15MAPTKDM4ETHRB | |
| SCHEMBL4938443 | 0.72 | ALDH1A1 (0.37) | SMN1; SMN2ALOX15MAPTKDM4ETHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0024965-B1 | FLUORINATED METHYL BETA-ALANINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERRELL TORAUDE ET COMPAGNIE (FR) | 1983-04-27 | — | — | EP | disclosed |
| US-4375477-A | ENZYME INHIBITORS | MERRELL TORAUDE ET COMPAGNIE (FR) | 1983-03-01 | — | — | US | disclosed |
| EP-0024965-A1 | Fluorinated methyl beta-alanine derivatives, their preparation and pharmaceutical compositions containing them | MERRELL TORAUDE ET COMPAGNIE (FR) | 1981-03-11 | — | — | EP | disclosed |