Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29940424 | 0.90 | SLC6A3 (0.53) | ADRA1ASLC6A2SLC6A3HSD11B1SLC6A4 | |
| SCHEMBL1067433 | 0.90 | SLC6A3 (0.53) | ADRA1ASLC6A2SLC6A3HSD11B1SLC6A4 | |
| SCHEMBL11835260 | 0.85 | DRD2 (0.47) | HSD11B1DRD2DRD4DRD3GRM2 | |
| SCHEMBL20187570 | 0.82 | SLC6A2 (0.47) | ADRA1ASLC6A2SLC6A3SLC6A4HTR2A | |
| SCHEMBL3786501 | 0.82 | HDAC4 (0.52) | ADRA1ASLC6A2SLC6A3HSD11B1SLC6A4 | |
| SCHEMBL3790814 | 0.82 | SLC6A3 (0.50) | ADRA1ASLC6A2SLC6A3HSD11B1SLC6A4 | |
| SCHEMBL16233611 | 0.81 | SLC6A2 (0.46) | ESR2ADRA1ASLC6A2SLC6A3SLC6A4 | |
| SCHEMBL3783699 | 0.80 | KMO (0.53) | ADRA1ASLC6A2SLC6A3HSD11B1SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL7349459 | 0.80 | SLC6A3 (0.49) | ADRA1ASLC6A2SLC6A3HSD11B1SLC6A4 | |
| SCHEMBL30960519 | 0.80 | SLC6A3 (0.49) | ADRA1ASLC6A2SLC6A3HSD11B1SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008077597-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | NOVARTIS AG (CH) | 2008-07-03 | — | — | WO | disclosed |
| US-3960961-A | 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof | THE UPJOHN COMPANY (US) | 1976-06-01 | — | — | US | disclosed |