Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 6/20 | 0.62 |
| ▸ | HTR2A | P28223 | 5/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CASR | P41180 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7272899 | 0.85 | HTR2A (0.58) | HRH1HTR2ATDP1SIGMAR1AOC3 | |
| SCHEMBL8096616 | 0.81 | AOC3 (0.58) | HRH1HTR2ATDP1AOC3 | |
| SCHEMBL7272216 | 0.79 | HRH1 (0.60) | HRH1HTR2ATDP1SIGMAR1AOC3 | |
| SCHEMBL13995351 | 0.78 | AOC3 (0.59) | HRH1HTR2AAOC3SLC6A2SLC6A4 | |
| SCHEMBL1802493 | 0.77 | HRH1 (1.00) | HRH1HTR2ATDP1SIGMAR1CHRM2 | |
| SCHEMBL8297797 | 0.77 | HTR2A (0.62) | HRH1HTR2ASIGMAR1AOC3CYP3A4 | |
| SCHEMBL11584939 | 0.77 | HRH1 (0.69) | HRH1HTR2ATDP1SIGMAR1AOC3 | |
| SCHEMBL3644776 | 0.77 | HRH1 (0.54) | HRH1HTR2ATDP1SIGMAR1AOC3 | |
| SCHEMBL172250 | 0.77 | CCR5 (0.50) | HRH1HTR2ATDP1SIGMAR1AOC3 | |
| SCHEMBL9662251 | 0.76 | HRH1 (0.67) | HRH1HTR2ATDP1SIGMAR1AOC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |
| WO-2003014084-A1 | NOVEL CRYSTALLINE POLYMORPHIC FORMS OF LERCANIDIPINE HYDROCHLORIDE AND PROCESS FOR THEIR PREPARATION | RECORDATI IRELAND LIMITED (IE) | 2003-02-20 | — | — | WO | disclosed |