Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1274883 | 0.84 | SMN1; SMN2 (0.58) | KIF11SMN1; SMN2HIF1ATAAR1PKM | |
| SCHEMBL1274884 | 0.84 | SMN1; SMN2 (0.58) | KIF11SMN1; SMN2HIF1ATAAR1PKM | |
| SCHEMBL11081595 | 0.81 | BLM (0.57) | KIF11SMN1; SMN2HIF1ACYP1A2CYP3A4 | |
| SCHEMBL11078710 | 0.81 | BLM (0.57) | KIF11SMN1; SMN2HIF1ACYP1A2CYP3A4 | |
| SCHEMBL11574844 | 0.80 | KDM4E (0.60) | SMN1; SMN2HIF1ADRD2DRD1TAAR1 | |
| SCHEMBL6718873 | 0.80 | KDM4E (0.60) | SMN1; SMN2HIF1ADRD2DRD1TAAR1 | |
| SCHEMBL2896017 | 0.77 | GRM2 (0.45) | GRM2GRM3ENPP2GRIA2SMN1; SMN2 | |
| SCHEMBL586074 | 0.76 | BLM (0.65) | GRM2GRM3ENPP2GRIA2SMN1; SMN2 | |
| SCHEMBL586073 | 0.76 | BLM (0.65) | GRM2GRM3ENPP2GRIA2SMN1; SMN2 | |
| SCHEMBL6716632 | 0.74 | CTBP2 (0.45) | GRM2GRM3ENPP2SMN1; SMN2HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-4483870-A | α-Difluoromethyl amino acids and hypertension treating compositions thereof | MERCK & CO., INC. (US) | 1984-11-20 | — | — | US | disclosed |
| EP-0007600-B1 | ALPHA-DIFLUOROMETHYL AMINO ACIDS AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | MERCK & CO. INC. (US) | 1983-05-11 | — | — | EP | disclosed |
| EP-0007600-A1 | Alpha-difluoromethyl amino acids and pharmaceutical composition containing the same | MERCK & CO. INC. (US) | 1980-02-06 | — | — | EP | disclosed |