Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 7/20 | 0.44 |
| ▸ | DRD5 | P21918 | 6/20 | 0.40 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD4 | P21917 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL20536090 | 0.76 | CYP2D6 (0.54) | DRD1DRD3LMNACYP1A2CYP3A4 | |
| SCHEMBL11530901 | 0.76 | CYP2D6 (0.36) | DRD1DRD3NPSR1LMNACYP1A2 | |
| SCHEMBL12533128 | 0.75 | HRH3 (0.50) | DRD1DRD5LMNACYP2D6KCNH2 | |
| SCHEMBL4392254 | 0.73 | CYP2D6 (0.45) | DRD1DRD3LMNACYP1A2CYP3A4 | |
| SCHEMBL5213186 | 0.73 | LMNA (0.64) | NPSR1LMNARIPK1TSHRMEN1 | |
| SCHEMBL6184552 | 0.72 | CYP2D6 (0.42) | DRD1DRD3LMNACYP1A2CYP3A4 | |
| SCHEMBL28041845 | 0.71 | CYP2D6 (0.40) | DRD1DRD3LMNACYP1A2CYP3A4 | |
| SCHEMBL8480869 | 0.70 | MAPK1 (0.45) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10527232 | 0.69 | MEN1 (0.59) | CYP3A4CYP2D6KCNH2MEN1KMT2A | |
| SCHEMBL5221988 | 0.69 | CHRM2 (0.50) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 |
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-2010012812-A1 | BENZAZEPINES AND BENZAZOCINES AS SIGMA-RECEPTOR LIGANDES | Westfälische Wilhelms Universität Münster (DE) | 2010-02-04 | — | — | WO | disclosed |