Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.75 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.75 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.75 |
| ▸ | MAOA | P21397 | 1/20 | 0.75 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.75 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.75 |
| ▸ | MDH1 | P40925 | 1/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.75 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.75 |
| ▸ | SYK | P43405 | 17/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Delavirdine SCHEMBL34420 | 0.86 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL29602259 | 0.86 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL29714124 | 0.86 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL30803764 | 0.86 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL18326508 | 0.85 | ADRA2A (0.75) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL28170537 | 0.85 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL40522 | 0.85 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL29585604 | 0.85 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL3221265 | 0.85 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8795012 | 0.85 | ADRA2A (0.74) | ADRA2AADORA3CHRM1MAOATBXA2R |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016135046-A1 | INHIBITORS OF RAF1, MST1, AND PKL1 FOR USE IN THE TREATMENT OF A RETROVIRUS | ACADEMISCH MEDISCH CENTRUM (NL) | 2016-09-01 | — | — | WO | disclosed |
| CN-101941990-A | The prodrug of the piperidine antiviral agents of piperazine and replacement | BRISTOL MYERS SQUIBB CO | 2011-01-12 | — | — | CN | disclosed |
| CN-1953985-B | Prodrugs of piperazine and substituted piperidine antiviral drugs | BRISTOL MYERS SQUIBB CO | 2010-06-09 | — | — | CN | disclosed |
| CN-1953985-A | Prodrugs of piperazine and substituted piperidine antiviral drugs | BRISTOL MYERS SQUIBB CO (US) | 2007-04-25 | — | — | CN | disclosed |
| EP-1420745-A2 | USE OF R-NSAID COMPOUNDS FOR ANTI-HIV TREATMENT | MYRIAD GENETICS, INC. (US) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003013424-A2 | USE OF R-NSAID COMPOUNDS FOR ANTI-HIV TREATMENT | MYRIAD GENETICS, INC (US) | 2003-02-20 | — | — | WO | disclosed |