Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15918883 | 0.84 | GRM2 (0.38) | CYP2D6CYP1A2CYP2C19GRM2GRM3 | |
| SCHEMBL5131645 | 0.82 | AKR1C3 (0.41) | KMT2AMEN1 | |
| SCHEMBL21632771 | 0.81 | CYP1A2 (0.44) | CYP2D6CYP1A2CYP2C19ALOX5GRM2 | |
| SCHEMBL9462605 | 0.79 | SMN1; SMN2 (0.53) | CYP2D6CYP1A2CYP2C19ALOX5SMN1; SMN2 | |
| SCHEMBL5014848 | 0.75 | ARG1 (0.46) | CYP2D6CYP1A2GRM2GRM3SMN1; SMN2 | |
| SCHEMBL2032641 | 0.73 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP2C19HDAC3HDAC4 | |
| SCHEMBL7390280 | 0.73 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP2C19HDAC3HDAC4 | |
| SCHEMBL1915859 | 0.73 | ARG1 (0.37) | CYP2D6CYP1A2SMN1; SMN2 | |
| SCHEMBL2031549 | 0.73 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP2C19HDAC3HDAC4 | |
| SCHEMBL5940495 | 0.72 | CYP2D6 (0.48) | CYP2D6CYP1A2CYP2C19HDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5726200-A | Pro-drugs for CCK antagonists | WARNER-LAMBERT COMPANY (US) | 1998-03-10 | — | — | US | disclosed |