Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 3/20 | 0.33 |
| ▸ | PITRM1 | Q5JRX3 | 3/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | FAP | Q12884 | 2/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL8670866 | 0.87 | CYP2C19 (0.38) | ALDH1A1SMN1; SMN2DPP4PITRM1DPP8 | |
| SCHEMBL14899074 | 0.81 | CYP2C19 (0.34) | ALDH1A1SMN1; SMN2DPP4PITRM1DPP8 | |
| SCHEMBL7208896 | 0.76 | NPSR1 (0.33) | ALDH1A1SMN1; SMN2TSHRNFKB1CYP2C19 | |
| SCHEMBL9354755 | 0.76 | DPP4 (0.32) | SMN1; SMN2DPP4PITRM1DPP8DPP9 | |
| SCHEMBL8028102 | 0.76 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2DPP4PITRM1DPP8 | |
| SCHEMBL11700802 | 0.76 | GRIK1 (0.33) | ALDH1A1SMN1; SMN2DPP4PITRM1DPP8 | |
| SCHEMBL22746095 | 0.74 | SLC1A2 (0.46) | ALDH1A1SMN1; SMN2DPP4PITRM1DPP8 | |
| SCHEMBL22746096 | 0.74 | SLC1A2 (0.46) | ALDH1A1SMN1; SMN2DPP4PITRM1DPP8 | |
| SCHEMBL8262232 | 0.74 | SLC1A2 (0.46) | ALDH1A1SMN1; SMN2DPP4PITRM1DPP8 | |
| SCHEMBL14979856 | 0.74 | SLC1A2 (0.46) | ALDH1A1SMN1; SMN2DPP4PITRM1DPP8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0812822-B1 | Process for the preparation of aminoacetic acids substituted at position alpha by a tertiary hydrocarbon chain or their nitriles | HUELS CHEMISCHE WERKE AG (DE) | 1999-07-28 | — | — | EP | disclosed |
| EP-0812822-A2 | Process for the preparation of aminoacetic acids substituted at position alpha by a tertiary hydrocarbon chain or their nitriles | HÜLS AKTIENGESELLSCHAFT (DE) | 1997-12-17 | — | — | EP | disclosed |