Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.59 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 5/20 | 0.52 |
| ▸ | DRD2 | P14416 | 4/20 | 0.52 |
| ▸ | HTR2A | P28223 | 4/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.52 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.50 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.49 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | CMA1 | P23946 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL260866 | 0.90 | AHR (0.53) | AHRMAOBPDE3BPDE3AHTR1A | |
| SCHEMBL4404868 | 0.90 | AHR (0.57) | AHRMAOBPDE3BPDE3AHTR1A | |
| SCHEMBL7349900 | 0.90 | AHR (0.53) | AHRMAOBPDE3BPDE3AHTR1A | |
| SCHEMBL15941764 | 0.90 | SMYD3 (0.55) | AHRMAOBPDE3BPDE3AHTR1A | |
| SCHEMBL5728887 | 0.87 | AHR (0.54) | AHRMAOBPDE3BPDE3AHTR1A | |
| SCHEMBL689189 | 0.87 | AHR (0.50) | AHRMAOBPDE3BPDE3AHTR1A | |
| SCHEMBL4551283 | 0.87 | SMYD3 (0.50) | AHRMAOBPDE3BPDE3AHTR1A | |
| SCHEMBL20821103 | 0.85 | AHR (0.49) | AHRMAOBPDE3BPDE3AHTR1A | |
| SCHEMBL4889909 | 0.85 | AHR (0.53) | AHRMAOBPDE3BPDE3AHTR1A | |
| SCHEMBL4551223 | 0.85 | AHR (0.49) | AHRMAOBPDE3BPDE3AHTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |