Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9080432 | 0.88 | NR1I2 (0.32) | CYP2D6ALDH1A1CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL8055340 | 0.82 | CYP2D6 (0.40) | CYP2D6ALDH1A1CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL9347229 | 0.73 | CYP2D6 (0.54) | CYP2D6ALDH1A1CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL1206899 | 0.72 | NR1I2 (0.32) | NR1I2 | |
| SCHEMBL8849619 | 0.70 | CYP2D6 (0.38) | CYP2D6ALDH1A1CYP1A2CYP2C19MAOB | |
| SCHEMBL9508650 | 0.70 | KIF11 (0.34) | CYP2D6ALDH1A1CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL9347249 | 0.69 | CYP2D6 (0.37) | CYP2D6ALDH1A1MAOBMEN1KMT2A | |
| SCHEMBL19798872 | 0.67 | LMNA (0.45) | ALDH1A1CYP2C19MEN1KMT2APOLB | |
| SCHEMBL1205618 | 0.67 | ADAM17 (0.36) | ALDH1A1KIF11NR1I2MEN1KMT2A | |
| SCHEMBL1204972 | 0.67 | NR1I2 (0.34) | NR1I2 |
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-1992005153-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1992-04-02 | — | — | WO | disclosed |