Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SLC16A3 | O15427 | 6/20 | 0.39 |
| ▸ | SLC16A1 | P53985 | 6/20 | 0.39 |
| ▸ | AR | P10275 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CFB | P00751 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2463716 | 0.85 | GAA (0.48) | CYP1A2CYP3A4CYP2C9SLC16A3SLC16A1 | |
| SCHEMBL18583719 | 0.85 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9SLC16A3SLC16A1 | |
| SCHEMBL30764008 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C9SLC16A3SLC16A1 | |
| SCHEMBL30605984 | 0.81 | SLC16A3 (0.44) | CYP1A2CYP3A4CYP2C9SLC16A3SLC16A1 | |
| SCHEMBL23142439 | 0.80 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9SLC16A3SLC16A1 | |
| SCHEMBL18583806 | 0.80 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9SLC16A3SLC16A1 | |
| SCHEMBL31295841 | 0.80 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2C9SLC16A3SLC16A1 | |
| SCHEMBL18583713 | 0.80 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9SLC16A3SLC16A1 | |
| SCHEMBL1398327 | 0.78 | ALDH1A1 (0.58) | CYP1A2CYP3A4CYP2C9ARKDM4E | |
| SCHEMBL29955071 | 0.78 | ALDH1A1 (0.58) | CYP1A2CYP3A4CYP2C9ARKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017032673-A1 | METHOD FOR THE PREPARATION OF (4S)-4-(4-CYANO-2-METHOXYPHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1-6-NAPHTHYRIDINE-3-CARBOXAMIDE AND THE PURIFICATION THEREOF FOR USE AS AN ACTIVE PHARMACEUTICAL INGREDIENT | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-03-02 | — | — | WO | disclosed |