Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8488383 | 0.89 | CYP3A4 (0.55) | CYP3A4CYP2C19GAAHTTTSHR | |
| SCHEMBL19792871 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C19GAAHTTTSHR | |
| SCHEMBL23049271 | 0.85 | CYP3A4 (0.55) | CYP3A4CYP2C19GAAHTTTSHR | |
| SCHEMBL7005858 | 0.85 | CYP3A4 (0.55) | CYP3A4CYP2C19GAAHTTTSHR | |
| SCHEMBL25005870 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2C19GAAHTTTSHR | |
| SCHEMBL16417928 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2C19GAAHTTTSHR | |
| SCHEMBL8488385 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP2C19GAAHTTTSHR | |
| SCHEMBL20733007 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C19GAAHTTTSHR | |
| SCHEMBL8488177 | 0.82 | CYP3A4 (0.58) | CYP3A4CYP2C19GAAHTTTSHR | |
| SCHEMBL19588473 | 0.80 | CYP3A4 (0.57) | CYP3A4CYP2C19GAAHTTTSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0716077-A1 | Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors | CIBA-GEIGY AG (CH) | 1996-06-12 | — | — | EP | disclosed |