Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9304627 | 0.89 | CYP2D6 (0.41) | CYP2D6ALDH1A1NPSR1KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL8142868 | 0.88 | CYP2D6 (0.40) | CYP2D6ALDH1A1NPSR1KDM4EMEN1 | |
| SCHEMBL9303541 | 0.85 | CYP2D6 (0.47) | CYP2D6ALDH1A1KDM4EGAACYP1A2 | |
| Hydrochloric Acid SCHEMBL8127101 | 0.83 | CYP2D6 (0.46) | CYP2D6ALDH1A1KDM4EGAACYP1A2 | |
| Hydrochloric Acid SCHEMBL9263878 | 0.83 | CYP2D6 (0.46) | CYP2D6ALDH1A1KDM4EGAACYP1A2 | |
| SCHEMBL9305917 | 0.81 | HRH1 (0.38) | ALDH1A1NPSR1KDM4EMEN1KMT2A | |
| SCHEMBL5359047 | 0.81 | KDM4E (0.38) | CYP2D6ALDH1A1NPSR1KDM4EMEN1 | |
| SCHEMBL9303549 | 0.79 | KDM4E (0.39) | ALDH1A1KDM4EMEN1KMT2AGAA | |
| SCHEMBL9304434 | 0.76 | CYP2D6 (0.42) | CYP2D6ALDH1A1NPSR1CYP1A2CYP2C9 | |
| SCHEMBL9305128 | 0.76 | CYP2D6 (0.50) | CYP2D6ALDH1A1KDM4EKMT2ALMNA |
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-7253165-B2 | Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2007-08-07 | — | — | US | disclosed |